CAS
761446-44-0 Purity
98%
761446-44-0 Purity
98%
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Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester
CAS
1210047-44-1
Catalog Number
ACM1210047441-1
Category
Other
Molecular Weight
257.1g/mol
Molecular Formula
C13H16BN3O2
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Specification
IUPAC Name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3N=C2
InChI
InChI=1S/C13H16BN3O2/c1-12(2)13(3,4)19-14(18-12)9-7-10-11(17-8-9)16-6-5-15-10/h5-8H,1-4H3
InChI Key
QLYMAIYXJXENHJ-UHFFFAOYSA-N
Complexity
335
Covalently-Bonded Unit Count
1
Exact Mass
257.133557g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
19
Monoisotopic Mass
257.133557g/mol
Rotatable Bond Count
1
What is the molecular formula of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The molecular formula is C13H16BN3O2.
What is the molecular weight of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The molecular weight is 257.10 g/mol.
What is the IUPAC name of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The IUPAC name is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine.
What is the CAS number of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The CAS number is 1210047-44-1.
What is the InChI key of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The InChI key is QLYMAIYXJXENHJ-UHFFFAOYSA-N.
What is the hydrogen bond donor count of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The hydrogen bond acceptor count is 5.
What is the rotatable bond count of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The rotatable bond count is 1.
What is the topological polar surface area of Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester?
The topological polar surface area is 57.1Ų.
Is Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester a canonical compound?
Yes, Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester is canonicalized.
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