5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid

C13H12BrN3O2 — CID 114047042

IUPAC5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Br)cc1Nc1ncc(N)cc1C(=O)O
InChIInChI=1S/C13H12BrN3O2/c1-7-2-3-8(14)4-11(7)17-12-10(13(18)19)5-9(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyKCXWFNWLUYMROF-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.18
Rot. Bonds3

About 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid

5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 114047042) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID114047042
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Br)cc1Nc1ncc(N)cc1C(=O)O
InChIInChI=1S/C13H12BrN3O2/c1-7-2-3-8(14)4-11(7)17-12-10(13(18)19)5-9(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyKCXWFNWLUYMROF-UHFFFAOYSA-N
XLogP3.18
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoic acid
CID 107194297
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114253860
5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
CID 61358200
5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
CID 114261298
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
5-amino-N-(2,5-dibromophenyl)-2-methylpyridine-3-carboxamide
CID 61466356
methyl 5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoate
CID 107194293
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid (CID 114047042) is 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid is Cc1ccc(Br)cc1Nc1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is KCXWFNWLUYMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-2-3-8(14)4-11(7)17-12-10(13(18)19)5-9(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid?
5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114047042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).