2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C13H10FN3O3 — CID 137045735

IUPAC2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2ncc(C3CC3)cc2F)n1
InChIInChI=1S/C13H10FN3O3/c14-8-3-7(6-1-2-6)5-15-11(8)12-16-9(13(19)20)4-10(18)17-12/h3-6H,1-2H2,(H,19,20)(H,16,17,18)
InChIKeySIPPGFRNJKJJFP-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.55
Rot. Bonds3

About 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 137045735) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID137045735
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2ncc(C3CC3)cc2F)n1
InChIInChI=1S/C13H10FN3O3/c14-8-3-7(6-1-2-6)5-15-11(8)12-16-9(13(19)20)4-10(18)17-12/h3-6H,1-2H2,(H,19,20)(H,16,17,18)
InChIKeySIPPGFRNJKJJFP-UHFFFAOYSA-N
XLogP1.55
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-cyclopropyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 137045774
2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136967064
6-oxo-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidine-4-carboxylic acid
CID 165461456
N-[(1R)-1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982992
2-bromo-5-cyclopropyl-3-fluorobenzoic acid
CID 58415836
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982694
3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
CID 131871286
4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one
CID 158116534
2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 154836655
5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
CID 83919432
1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
CID 139524310
5-cyclopentyl-3-fluoro-2-methylpyridine;ethane
CID 170761559

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 137045735) is 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(-c2ncc(C3CC3)cc2F)n1.
What is the InChIKey of 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is SIPPGFRNJKJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-8-3-7(6-1-2-6)5-15-11(8)12-16-9(13(19)20)4-10(18)17-12/h3-6H,1-2H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 275.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-fluoro-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 137045735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).