3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C10H7FN4O3 — CID 115496461

IUPAC3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1cccc(F)n1
InChIInChI=1S/C10H7FN4O3/c11-7-3-1-2-5(12-7)9(16)13-8-4-6(10(17)18)14-15-8/h1-4H,(H,17,18)(H2,13,14,15,16)
InChIKeyMJBCEFVWLWFUOQ-UHFFFAOYSA-N
MW250.19 g/mol
LogP0.89
Rot. Bonds3

About 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 115496461) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID115496461
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Name3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1cccc(F)n1
InChIInChI=1S/C10H7FN4O3/c11-7-3-1-2-5(12-7)9(16)13-8-4-6(10(17)18)14-15-8/h1-4H,(H,17,18)(H2,13,14,15,16)
InChIKeyMJBCEFVWLWFUOQ-UHFFFAOYSA-N
XLogP0.89
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 113342682
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-bromo-5-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496522
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 113323241
benzamide;3-[(2-chloro-3-fluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 174542145
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523899
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 115496461) is 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)c1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is MJBCEFVWLWFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c11-7-3-1-2-5(12-7)9(16)13-8-4-6(10(17)18)14-15-8/h1-4H,(H,17,18)(H2,13,14,15,16).
What are the key properties of 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 250.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115496461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).