4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid

C10H5F3N2O3 — CID 115048142

IUPAC4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(C(F)(F)F)cn2c1=O
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)5-1-2-7-14-3-6(9(17)18)8(16)15(7)4-5/h1-4H,(H,17,18)
InChIKeyVSKYFLDUTQVRLO-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.41
Rot. Bonds1

About 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid

4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 115048142) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID115048142
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(C(F)(F)F)cn2c1=O
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)5-1-2-7-14-3-6(9(17)18)8(16)15(7)4-5/h1-4H,(H,17,18)
InChIKeyVSKYFLDUTQVRLO-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

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Related Compounds

4-oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048141
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82530344
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82530353
4-oxo-6-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048143
2-amino-1-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 84704969
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 71280482
7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 86779478
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 84703746
7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 75416997

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 115048142) is 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnc2ccc(C(F)(F)F)cn2c1=O.
What is the InChIKey of 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is VSKYFLDUTQVRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)5-1-2-7-14-3-6(9(17)18)8(16)15(7)4-5/h1-4H,(H,17,18).
What are the key properties of 4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid?
4-oxo-7-(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-7-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 115048142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).