1-cyclopropyl-2-oxopyridine-3-carboxylic acid

C9H9NO3 — CID 72942813

IUPAC1-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CC2)c1=O
InChIInChI=1S/C9H9NO3/c11-8-7(9(12)13)2-1-5-10(8)6-3-4-6/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyRGSANPKXHNPTPT-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.88
Rot. Bonds2

About 1-cyclopropyl-2-oxopyridine-3-carboxylic acid

1-cyclopropyl-2-oxopyridine-3-carboxylic acid (PubChem CID 72942813) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-oxopyridine-3-carboxylic acid
PubChem CID72942813
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name1-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CC2)c1=O
InChIInChI=1S/C9H9NO3/c11-8-7(9(12)13)2-1-5-10(8)6-3-4-6/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyRGSANPKXHNPTPT-UHFFFAOYSA-N
XLogP0.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 1201510
1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
5-Bromo-1-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 82665410
5-Bromo-1-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 82665410
3-Pyridinecarboxylic acid, 1-cyclobutyl-1,2-dihydro-2-oxo-
CID 86277097
1-Fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid
CID 63937618
1-[(2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid
CID 137450490
1-((1R,2R)-2-Fluorocyclopropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 137457643
Methyl 1-(2-fluorocyclopropyl)-2-oxopyridine-3-carboxylate
CID 137457805
1-(3,3-Difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid
CID 139373441

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-oxopyridine-3-carboxylic acid (CID 72942813) is 1-cyclopropyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is RGSANPKXHNPTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-7(9(12)13)2-1-5-10(8)6-3-4-6/h1-2,5-6H,3-4H2,(H,12,13).
What are the key properties of 1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
1-cyclopropyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 72942813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).