6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid

C12H8ClFN2O2 — CID 62240911

IUPAC6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H8ClFN2O2/c13-8-5-4-7(6-9(8)14)15-11-3-1-2-10(16-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeySLOVHBUEFZMXNN-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.32
Rot. Bonds3

About 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid

6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid (PubChem CID 62240911) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
PubChem CID62240911
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H8ClFN2O2/c13-8-5-4-7(6-9(8)14)15-11-3-1-2-10(16-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeySLOVHBUEFZMXNN-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chloro-3-fluoroanilino)-5-nitropyridine-2-carboxylic acid
CID 114403831
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
6-(4-acetamidoanilino)pyridine-2-carboxylic acid
CID 62255530
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
CID 62254300
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643790
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63538999

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid (CID 62240911) is 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid is O=C(O)c1cccc(Nc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is SLOVHBUEFZMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-8-5-4-7(6-9(8)14)15-11-3-1-2-10(16-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid?
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 266.66 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62240911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).