5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid

C13H10BrClN2O2 — CID 66256105

IUPAC5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H10BrClN2O2/c1-7-3-2-4-10(15)11(7)17-12-9(13(18)19)5-8(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMSHLWOIBIRHDMJ-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid

5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid (PubChem CID 66256105) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
PubChem CID66256105
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H10BrClN2O2/c1-7-3-2-4-10(15)11(7)17-12-9(13(18)19)5-8(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMSHLWOIBIRHDMJ-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

5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 84604439
5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 65498887
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
5-bromo-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 63537127
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid (CID 66256105) is 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid is Cc1cccc(Cl)c1Nc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is MSHLWOIBIRHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-7-3-2-4-10(15)11(7)17-12-9(13(18)19)5-8(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid?
5-bromo-2-(2-chloro-6-methylanilino)pyridine-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 5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 66256105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).