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

C14H13BrN2O2 — CID 65498815

IUPAC2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
SMILESCc1cc(Br)cc(C)c1Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H13BrN2O2/c1-8-5-11(15)6-9(2)13(8)17-12-7-10(14(18)19)3-4-16-12/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyUPRMPBANRALKJB-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds3

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

2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid (PubChem CID 65498815) 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-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
PubChem CID65498815
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
SMILESCc1cc(Br)cc(C)c1Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H13BrN2O2/c1-8-5-11(15)6-9(2)13(8)17-12-7-10(14(18)19)3-4-16-12/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyUPRMPBANRALKJB-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-4-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-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
CID 81266781
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
2-[4-bromo-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 64855140
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid (CID 65498815) is 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid is Cc1cc(Br)cc(C)c1Nc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid?
The InChIKey is UPRMPBANRALKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-5-11(15)6-9(2)13(8)17-12-7-10(14(18)19)3-4-16-12/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid?
2-(4-bromo-2,6-dimethylanilino)pyridine-4-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-4-carboxylic acid is sourced from PubChem (CID 65498815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).