2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid

C14H13BrN2O2 — CID 65499396

IUPAC2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(C)c1Nc1ncccc1C(=O)O
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(15)7-9(2)12(8)17-13-11(14(18)19)4-3-5-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIQEULYUVSPYFCO-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid

2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid (PubChem CID 65499396) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
PubChem CID65499396
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(C)c1Nc1ncccc1C(=O)O
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(15)7-9(2)12(8)17-13-11(14(18)19)4-3-5-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIQEULYUVSPYFCO-UHFFFAOYSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
CID 63537003
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
CID 65498815
2-[(2,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 71016995
2-(5-bromo-2-cyanoanilino)pyridine-3-carboxylic acid
CID 107799260
2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
CID 153457704
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-(4-acetylanilino)pyridine-3-carboxylic acid
CID 14222049

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid (CID 65499396) is 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid is Cc1cc(Br)cc(C)c1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is IQEULYUVSPYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-6-10(15)7-9(2)12(8)17-13-11(14(18)19)4-3-5-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid?
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 65499396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).