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Structure

5-Carboxypyridine-3-boronic acid

CAS
913836-03-0
Catalog Number
ACM913836030
Category
Boronic Acids
Molecular Weight
166.9274
Molecular Formula
C6H6BNO4

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Specification

Synonyms
5-Borononicotinic acid, 913836-03-0, 5-Carboxypyridine-3-boronic acid, 5-boronopyridine-3-carboxylic Acid, 5-Dihydroxyboronylnicotinic acid, 5-(dihydroxyboranyl)pyridine-3-carboxylic acid, 5-borono-3-pyridinecarboxylic acid, SBB052559, ACMC-209ran, SureCN789735, AC1MSK13, CTK3I6361, MolPort-000-225-907, ANW-39645, AKOS002375066, AB11841, AG-H-74973, MCULE-4120682133, QC-4871, 5-(DIHYDROXYBORYL)NICOTINIC ACID
IUPAC Name
5-boronopyridine-3-carboxylic acid
Canonical SMILES
B(C1=CC(=CN=C1)C(=O)O)(O)O
InChI Key
XKDATYTUCBKUQZ-UHFFFAOYSA-N
Boiling Point
486.3ºC at 760 mmHg
Melting Point
226-230ºC
Flash Point
247.9ºC
Density
1.5g/cm³
Exact Mass
167.03900
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of 5-Carboxypyridine-3-boronic acid?

The molecular formula of 5-Carboxypyridine-3-boronic acid is C6H6BNO4.

What is the molecular weight of 5-Carboxypyridine-3-boronic acid?

The molecular weight of 5-Carboxypyridine-3-boronic acid is 166.93 g/mol.

What is the IUPAC Name of 5-Carboxypyridine-3-boronic acid?

The IUPAC Name of 5-Carboxypyridine-3-boronic acid is 5-boronopyridine-3-carboxylic acid.

What is the InChI of 5-Carboxypyridine-3-boronic acid?

The InChI of 5-Carboxypyridine-3-boronic acid is InChI=1S/C6H6BNO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,11-12H,(H,9,10).

What is the InChIKey of 5-Carboxypyridine-3-boronic acid?

The InChIKey of 5-Carboxypyridine-3-boronic acid is XKDATYTUCBKUQZ-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Carboxypyridine-3-boronic acid?

The Canonical SMILES of 5-Carboxypyridine-3-boronic acid is B(C1=CC(=CN=C1)C(=O)O)(O)O.

What is the CAS number of 5-Carboxypyridine-3-boronic acid?

The CAS number of 5-Carboxypyridine-3-boronic acid is 913836-03-0.

What is the European Community (EC) Number of 5-Carboxypyridine-3-boronic acid?

The European Community (EC) Number of 5-Carboxypyridine-3-boronic acid is 690-448-9.

What is the Hydrogen Bond Donor Count of 5-Carboxypyridine-3-boronic acid?

The Hydrogen Bond Donor Count of 5-Carboxypyridine-3-boronic acid is 3.

What is the Hydrogen Bond Acceptor Count of 5-Carboxypyridine-3-boronic acid?

The Hydrogen Bond Acceptor Count of 5-Carboxypyridine-3-boronic acid is 5.

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