4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid

C10H5F3N2O3 — CID 115048143

IUPAC4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2cccc(C(F)(F)F)n2c1=O
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)6-2-1-3-7-14-4-5(9(17)18)8(16)15(6)7/h1-4H,(H,17,18)
InChIKeyOXHKTYJUTXEMCS-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.41
Rot. Bonds1

About 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid

4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 115048143) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID115048143
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2cccc(C(F)(F)F)n2c1=O
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)6-2-1-3-7-14-4-5(9(17)18)8(16)15(6)7/h1-4H,(H,17,18)
InChIKeyOXHKTYJUTXEMCS-UHFFFAOYSA-N
XLogP1.41
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-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

4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048142
ethyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 119007009
4-oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048141
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
8,9-dimethyl-1-oxopyrimido[1,2-a]quinoxaline-2-carboxylic acid
CID 13190170
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
5-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 76849588
5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19609393
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115025656
3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 44754715
2-(3-methylimidazo[1,2-a]pyridin-5-yl)acetic acid
CID 82603218
2-(trifluoromethyl)quinazoline-5-carboxylic acid
CID 140504349

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 115048143) is 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnc2cccc(C(F)(F)F)n2c1=O.
What is the InChIKey of 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is OXHKTYJUTXEMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)6-2-1-3-7-14-4-5(9(17)18)8(16)15(6)7/h1-4H,(H,17,18).
What are the key properties of 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 258.15 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 115048143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).