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Structure

2-Methyl-[1,8]naphthyridine

CAS
1569-16-0
Catalog Number
ACM1569160
Category
Other Products
Molecular Weight
144.17g/mol
Molecular Formula
C9H8N2

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Specification

Synonyms
1569-16-0;2-Methyl-1,8-naphthyridine;2-Methyl-[1,8]naphthyridine;2-Methyl[1,8]-Naphthyridine;2-Methyl-[1,8]-Naphthyridine;1,8-NAPHTHYRIDINE, 2-METHYL-;2-methylnaphthyridine;MFCD04066717;2-Methyl-1,8-naphtyridine;methylnaphthyridine;PubChem13904;ACMC-209df4;SCHEMBL252888;2-Methyl-1,8-diazanaphthalene;2-Methyl[1,8]naphthyridine #;2-Methylpyrido[2,3-b]pyridine;2-methylpyridino[2,3-b]pyridine;DTXSID20166157;ACT04388;AMY32664;EBD38010;ZINC1296708;ANW-21662;BBL102301;SBB042157;STL556100;AKOS000270423;AB17502;AC-5726;CS-W016386;GS-3534;MCULE-4222229618;AK-44284;SY017550;2-Methyl-[1,8]naphthyridine, AldrichCPR;AB0053898;DB-006182;FT-0651011;M2352;X3127;A-6354;569M160;J-509902;Z1741979202
IUPAC Name
2-methyl-1,8-naphthyridine
Canonical SMILES
CC1=NC2=C(C=CC=N2)C=C1
InChI
InChI=1S/C9H8N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h2-6H,1H3
InChI Key
FSWRUYCICUXURT-UHFFFAOYSA-N
Melting Point
96-97°C
Complexity
136
Covalently-Bonded Unit Count
1
Exact Mass
144.068748264g/mol
Hazard Statements
Xi,Xn
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
2
Monoisotopic Mass
144.068748264g/mol
Rotatable Bond Count
0
Safety Description
26-39
Supplemental Hazard Statements
H315-H319-H335-H302-H318
Symbol
GHS05,GHS07
Topological Polar Surface Area
25.8Ų
XLogP3
1.9
What is the molecular formula of 2-Methyl-[1,8]naphthyridine?

The molecular formula of 2-Methyl-[1,8]naphthyridine is C9H8N2.

What is the molecular weight of 2-Methyl-[1,8]naphthyridine?

The molecular weight of 2-Methyl-[1,8]naphthyridine is 144.17 g/mol.

What is the IUPAC name of 2-Methyl-[1,8]naphthyridine?

The IUPAC name of 2-Methyl-[1,8]naphthyridine is 2-methyl-1,8-naphthyridine.

What is the InChIKey of 2-Methyl-[1,8]naphthyridine?

The InChIKey of 2-Methyl-[1,8]naphthyridine is FSWRUYCICUXURT-UHFFFAOYSA-N.

What is the CAS number of 2-Methyl-[1,8]naphthyridine?

The CAS number of 2-Methyl-[1,8]naphthyridine is 1569-16-0.

How many hydrogen bond donor counts does 2-Methyl-[1,8]naphthyridine have?

2-Methyl-[1,8]naphthyridine has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Methyl-[1,8]naphthyridine have?

2-Methyl-[1,8]naphthyridine has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Methyl-[1,8]naphthyridine?

The topological polar surface area of 2-Methyl-[1,8]naphthyridine is 25.8 ?2.

How many rotatable bond counts does 2-Methyl-[1,8]naphthyridine have?

2-Methyl-[1,8]naphthyridine has 0 rotatable bond counts.

Is 2-Methyl-[1,8]naphthyridine a canonicalized compound?

Yes, 2-Methyl-[1,8]naphthyridine is a canonicalized compound.

Upstream Synthesis Route 1

  • 7521-41-7
  • 815-68-9
  • 254-60-4
  • 1569-16-0

Reference: [1] Heterocycles, 2005, vol. 65, # 11, p. 2777 - 2782

Upstream Synthesis Route 2

  • 7521-41-7
  • 67-64-1
  • 1569-16-0

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 10, p. 2679 - 2684

Upstream Synthesis Route 3

  • 1824-81-3
  • 127-68-4
  • 1569-16-0

Reference: [1] Tetrahedron, 2014, vol. 70, # 3, p. 658 - 663

Downstream Synthesis Route 1

  • 1569-16-0
  • 105-58-8
  • 339536-82-2

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3156 - 3161

Downstream Synthesis Route 2

  • 1569-16-0
  • 959992-50-8

Reference: [1]Patent: WO2007/141473,2007,A1 .Location in patent: Page/Page column 263

Downstream Synthesis Route 3

  • 1569-16-0
  • 721920-80-5

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3156 - 3161
[2]Patent: WO2018/132268,2018,A1

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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