3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid

C12H7Cl2FN2O2 — CID 107528825

IUPAC3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2cc(F)ccc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-7-2-1-6(15)5-9(7)16-10-4-3-8(14)11(17-10)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyLBCJBHORYHQCHX-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.97
Rot. Bonds3

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

3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid (PubChem CID 107528825) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
PubChem CID107528825
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2cc(F)ccc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-7-2-1-6(15)5-9(7)16-10-4-3-8(14)11(17-10)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyLBCJBHORYHQCHX-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 28939546
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
CID 107530585
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
CID 28976726
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid (CID 107528825) is 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid is O=C(O)c1nc(Nc2cc(F)ccc2Cl)ccc1Cl.
What is the InChIKey of 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is LBCJBHORYHQCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-7-2-1-6(15)5-9(7)16-10-4-3-8(14)11(17-10)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid?
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 301.10 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107528825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).