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

C12H9FN2O2 — CID 82535090

IUPAC5-(2-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccccc2F)c1
InChIInChI=1S/C12H9FN2O2/c13-10-3-1-2-4-11(10)15-9-5-8(12(16)17)6-14-7-9/h1-7,15H,(H,16,17)
InChIKeyATIQNHQBEGELPV-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.66
Rot. Bonds3

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

5-(2-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 82535090) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-(2-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID82535090
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-(2-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccccc2F)c1
InChIInChI=1S/C12H9FN2O2/c13-10-3-1-2-4-11(10)15-9-5-8(12(16)17)6-14-7-9/h1-7,15H,(H,16,17)
InChIKeyATIQNHQBEGELPV-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 82535068
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
4-(2-fluoroanilino)benzoic acid
CID 62231206
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157578
5-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244174
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
N-(2,5-dimethoxyphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109244180

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-fluoroanilino)pyridine-3-carboxylic acid (CID 82535090) is 5-(2-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-fluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cncc(Nc2ccccc2F)c1.
What is the InChIKey of 5-(2-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is ATIQNHQBEGELPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-3-1-2-4-11(10)15-9-5-8(12(16)17)6-14-7-9/h1-7,15H,(H,16,17).
What are the key properties of 5-(2-fluoroanilino)pyridine-3-carboxylic acid?
5-(2-fluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82535090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).