4-fluoro-2-(pyridin-3-ylamino)benzoic acid

C12H9FN2O2 — CID 139804655

IUPAC4-fluoro-2-(pyridin-3-ylamino)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Nc1cccnc1
InChIInChI=1S/C12H9FN2O2/c13-8-3-4-10(12(16)17)11(6-8)15-9-2-1-5-14-7-9/h1-7,15H,(H,16,17)
InChIKeyLJXQDYMENMOFJW-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.66
Rot. Bonds3

About 4-fluoro-2-(pyridin-3-ylamino)benzoic acid

4-fluoro-2-(pyridin-3-ylamino)benzoic acid (PubChem CID 139804655) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-fluoro-2-(pyridin-3-ylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(pyridin-3-ylamino)benzoic acid
PubChem CID139804655
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name4-fluoro-2-(pyridin-3-ylamino)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Nc1cccnc1
InChIInChI=1S/C12H9FN2O2/c13-8-3-4-10(12(16)17)11(6-8)15-9-2-1-5-14-7-9/h1-7,15H,(H,16,17)
InChIKeyLJXQDYMENMOFJW-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

2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
2-(oxaloamino)-4-(pyridin-3-ylamino)benzoic acid
CID 70244357
N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 58459332
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
4,5-difluoro-2-(3-fluoroanilino)benzoic acid
CID 22632872
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyridin-3-ylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(pyridin-3-ylamino)benzoic acid (CID 139804655) is 4-fluoro-2-(pyridin-3-ylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(pyridin-3-ylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(pyridin-3-ylamino)benzoic acid is O=C(O)c1ccc(F)cc1Nc1cccnc1.
What is the InChIKey of 4-fluoro-2-(pyridin-3-ylamino)benzoic acid?
The InChIKey is LJXQDYMENMOFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-8-3-4-10(12(16)17)11(6-8)15-9-2-1-5-14-7-9/h1-7,15H,(H,16,17).
What are the key properties of 4-fluoro-2-(pyridin-3-ylamino)benzoic acid?
4-fluoro-2-(pyridin-3-ylamino)benzoic 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 4-fluoro-2-(pyridin-3-ylamino)benzoic acid is sourced from PubChem (CID 139804655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).