4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid

C13H10BrClN2O2 — CID 81244235

IUPAC4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(Br)c2)c(C(=O)O)cn1
InChIInChI=1S/C13H10BrClN2O2/c1-7-4-12(9(6-16-7)13(18)19)17-8-2-3-11(15)10(14)5-8/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyNXGYTNATHJIRRA-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.25
Rot. Bonds3

About 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid

4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81244235) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81244235
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(Br)c2)c(C(=O)O)cn1
InChIInChI=1S/C13H10BrClN2O2/c1-7-4-12(9(6-16-7)13(18)19)17-8-2-3-11(15)10(14)5-8/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyNXGYTNATHJIRRA-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 104724456
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid (CID 81244235) is 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2ccc(Cl)c(Br)c2)c(C(=O)O)cn1.
What is the InChIKey of 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is NXGYTNATHJIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-7-4-12(9(6-16-7)13(18)19)17-8-2-3-11(15)10(14)5-8/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 341.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).