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

C13H9FN2O4 — CID 81445446

IUPAC2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(F)c(C(=O)O)c1)c1ccncc1O
InChIInChI=1S/C13H9FN2O4/c14-10-2-1-7(5-9(10)13(19)20)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyYWZIFKWRJUGPDZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.88
Rot. Bonds3

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

2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (PubChem CID 81445446) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
PubChem CID81445446
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(F)c(C(=O)O)c1)c1ccncc1O
InChIInChI=1S/C13H9FN2O4/c14-10-2-1-7(5-9(10)13(19)20)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyYWZIFKWRJUGPDZ-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)-3-hydroxypyridine-4-carboxamide
CID 81442995
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
CID 81445870
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324
4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270765
2-fluoro-5-(pyrimidin-5-ylcarbamoylamino)benzoic acid
CID 107589277
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (CID 81445446) is 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is O=C(Nc1ccc(F)c(C(=O)O)c1)c1ccncc1O.
What is the InChIKey of 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is YWZIFKWRJUGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-10-2-1-7(5-9(10)13(19)20)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 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
2-fluoro-5-[(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 2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81445446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).