CAS
652148-98-6 Purity
96%
652148-98-6 Purity
96%
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2-(Morpholin-4-yl)pyridin-3-ylboronic acid
CAS
1218790-86-3
Catalog Number
ACM1218790863-1
Category
Other
Molecular Weight
208.02g/mol
Molecular Formula
C9H13BN2O3
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Specification
IUPAC Name
(2-morpholin-4-ylpyridin-3-yl)boronic acid
Canonical SMILES
B(C1=C(N=CC=C1)N2CCOCC2)(O)O
InChI
InChI=1S/C9H13BN2O3/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3,13-14H,4-7H2
InChI Key
SWDPLAALYQOCHB-UHFFFAOYSA-N
Complexity
200
Covalently-Bonded Unit Count
1
Exact Mass
208.101923g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
15
Monoisotopic Mass
208.101923g/mol
Rotatable Bond Count
2
What is the molecular formula of 2-(Morpholin-4-yl)pyridin-3-ylboronic acid?
The molecular formula is C9H13BN2O3.
What are some synonyms for 2-(Morpholin-4-yl)pyridin-3-ylboronic acid?
Some synonyms include 2-Morpholinopyridine-3-boronic acid and (2-Morpholin-4-yl)pyridin-3-ylboronic acid.
When was 2-(Morpholin-4-yl)pyridin-3-ylboronic acid created and modified in the database?
It was created on 2010-07-26 and last modified on 2023-12-02.
What is the InChIKey for 2-(Morpholin-4-yl)pyridin-3-ylboronic acid?
The InChIKey is SWDPLAALYQOCHB-UHFFFAOYSA-N.
What is the molecular weight of 2-(Morpholin-4-yl)pyridin-3-ylboronic acid?
The molecular weight is 208.02 g/mol.
How many hydrogen bond donor counts are there in the chemical structure?
There are 2 hydrogen bond donor counts.
What is the rotatable bond count for 2-(Morpholin-4-yl)pyridin-3-ylboronic acid?
The rotatable bond count is 2.
What is the topological polar surface area of 2-(Morpholin-4-yl)pyridin-3-ylboronic acid?
The topological polar surface area is 65.8 Ų.
How many heavy atoms are present in the compound?
There are 15 heavy atoms.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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1003846-21-6 Purity
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69807-91-6 Purity
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