4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid

C12H8FN3O4 — CID 60826073

IUPAC4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C12H8FN3O4/c13-7-2-1-6(12(19)20)3-8(7)16-11(18)9-4-15-10(17)5-14-9/h1-5H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUDLZFOROCLISCT-UHFFFAOYSA-N
MW277.21 g/mol
LogP0.86
Rot. Bonds3

About 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid

4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid (PubChem CID 60826073) has the molecular formula C12H8FN3O4 and a molecular weight of 277.21 g/mol. Its IUPAC name is 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
PubChem CID60826073
Molecular FormulaC12H8FN3O4
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C12H8FN3O4/c13-7-2-1-6(12(19)20)3-8(7)16-11(18)9-4-15-10(17)5-14-9/h1-5H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUDLZFOROCLISCT-UHFFFAOYSA-N
XLogP0.86
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107812438
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
3-[(3,6-dichloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748759
4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 107812529
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 107496656
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 81269287
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid (CID 60826073) is 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2c[nH]c(=O)cn2)c1.
What is the InChIKey of 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
The InChIKey is UDLZFOROCLISCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4/c13-7-2-1-6(12(19)20)3-8(7)16-11(18)9-4-15-10(17)5-14-9/h1-5H,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid has a molecular weight of 277.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60826073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).