2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid

C13H9FN2O4 — CID 107792618

IUPAC2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1cncc(O)c1
InChIInChI=1S/C13H9FN2O4/c14-11-4-8(1-2-10(11)13(19)20)16-12(18)7-3-9(17)6-15-5-7/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyQQBJPWYDSBWXTH-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid

2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid (PubChem CID 107792618) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
PubChem CID107792618
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1cncc(O)c1
InChIInChI=1S/C13H9FN2O4/c14-11-4-8(1-2-10(11)13(19)20)16-12(18)7-3-9(17)6-15-5-7/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyQQBJPWYDSBWXTH-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

N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-(4-chloro-3-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864787
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
CID 63851155
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 63864054
N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-(4-aminophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851550
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455
4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
CID 103869169
5-hydroxy-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862644

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid (CID 107792618) is 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(F)c1)c1cncc(O)c1.
What is the InChIKey of 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is QQBJPWYDSBWXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-11-4-8(1-2-10(11)13(19)20)16-12(18)7-3-9(17)6-15-5-7/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
2-fluoro-4-[(5-hydroxypyridine-3-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 2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107792618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).