3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid

C13H9FN2O4 — CID 63189731

IUPAC3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ncccc2O)c(F)c1
InChIInChI=1S/C13H9FN2O4/c14-8-6-7(13(19)20)3-4-9(8)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyXFLGFGLEESXNSI-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.88
Rot. Bonds3

About 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid

3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid (PubChem CID 63189731) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
PubChem CID63189731
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ncccc2O)c(F)c1
InChIInChI=1S/C13H9FN2O4/c14-8-6-7(13(19)20)3-4-9(8)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyXFLGFGLEESXNSI-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-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
N-(2,5-difluoro-4-methylphenyl)-3-hydroxypyridine-2-carboxamide
CID 103586322
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
N-(5-bromo-2-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861387
3-bromo-N-[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525444
N-(2-fluoro-3-hydroxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 86817229
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 63189912
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid (CID 63189731) is 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ncccc2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is XFLGFGLEESXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-8-6-7(13(19)20)3-4-9(8)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
3-fluoro-4-[(3-hydroxypyridine-2-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 3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63189731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).