4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid

C13H9FN2O4 — CID 81445363

IUPAC4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2ccncc2O)c1
InChIInChI=1S/C13H9FN2O4/c14-9-2-1-7(13(19)20)5-10(9)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyXLKLQQMRGXROBL-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.88
Rot. Bonds3

About 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid

4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (PubChem CID 81445363) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
PubChem CID81445363
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2ccncc2O)c1
InChIInChI=1S/C13H9FN2O4/c14-9-2-1-7(13(19)20)5-10(9)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyXLKLQQMRGXROBL-UHFFFAOYSA-N
XLogP1.88
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445608
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
CID 81445870
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (CID 81445363) is 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2ccncc2O)c1.
What is the InChIKey of 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is XLKLQQMRGXROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-9-2-1-7(13(19)20)5-10(9)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid has a molecular weight of 276.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81445363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).