9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid

C10H10N2O3 — CID 91928176

IUPAC9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid
SMILESCC1=CC=CN2C1=NC(=O)CC2C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6-3-2-4-12-7(10(14)15)5-8(13)11-9(6)12/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyKZQMLXSWXNUORP-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.54
Rot. Bonds1

About 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid

9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid (PubChem CID 91928176) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid
PubChem CID91928176
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid
SMILESCC1=CC=CN2C1=NC(=O)CC2C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6-3-2-4-12-7(10(14)15)5-8(13)11-9(6)12/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyKZQMLXSWXNUORP-UHFFFAOYSA-N
XLogP0.54
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93495431
(3S)-1,2-dimethyl-5-oxopyrazolidine-3-carboxylic acid
CID 95001185
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
CID 84650541
2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid
CID 163192295
2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid
CID 57357094
3-methyl-4-oxo-8,8a-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
CID 46863937
(2E)-2-(4,6-dimethylpyrimidin-2-yl)imino-3-(4-methylphenyl)-6-oxo-1,3-diazinane-4-carboxylic acid
CID 135414601
1-tert-butyl-3-methyl-2-oxo-1-pyrazin-2-ylimidazolidin-1-ium-4-carboxylic acid
CID 87548410
2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 10588897
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67159799
(2S,4S)-1-(4-chlorophenyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 139835169
2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
CID 20537883

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid?
The IUPAC name of 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid (CID 91928176) is 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid?
The canonical SMILES for 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid is CC1=CC=CN2C1=NC(=O)CC2C(=O)O.
What is the InChIKey of 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid?
The InChIKey is KZQMLXSWXNUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-2-4-12-7(10(14)15)5-8(13)11-9(6)12/h2-4,7H,5H2,1H3,(H,14,15).
What are the key properties of 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid?
9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-oxo-3,4-dihydropyrido[1,2-a]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 91928176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).