6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid

C13H9Cl2FN2O2 — CID 83078813

IUPAC6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(Nc2c(Cl)cc(F)cc2Cl)ccc1C(=O)O
InChIInChI=1S/C13H9Cl2FN2O2/c1-6-8(13(19)20)2-3-11(17-6)18-12-9(14)4-7(16)5-10(12)15/h2-5H,1H3,(H,17,18)(H,19,20)
InChIKeyJNSINIWWHGGIJI-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.28
Rot. Bonds3

About 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid

6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid (PubChem CID 83078813) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid
PubChem CID83078813
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(Nc2c(Cl)cc(F)cc2Cl)ccc1C(=O)O
InChIInChI=1S/C13H9Cl2FN2O2/c1-6-8(13(19)20)2-3-11(17-6)18-12-9(14)4-7(16)5-10(12)15/h2-5H,1H3,(H,17,18)(H,19,20)
InChIKeyJNSINIWWHGGIJI-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 154656164
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-chloro-5-fluoro-3-methylbenzoic acid
CID 53430534
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 155452459

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid (CID 83078813) is 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid is Cc1nc(Nc2c(Cl)cc(F)cc2Cl)ccc1C(=O)O.
What is the InChIKey of 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is JNSINIWWHGGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c1-6-8(13(19)20)2-3-11(17-6)18-12-9(14)4-7(16)5-10(12)15/h2-5H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid?
6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 315.13 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 83078813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).