3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid

C9H10N2O4 — CID 91534976

IUPAC3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c(=O)c1O)CCCC2
InChIInChI=1S/C9H10N2O4/c12-7-6(9(14)15)10-5-3-1-2-4-11(5)8(7)13/h12H,1-4H2,(H,14,15)
InChIKeyNQMKMWABGUUAOT-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.02
Rot. Bonds1

About 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 91534976) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID91534976
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c(=O)c1O)CCCC2
InChIInChI=1S/C9H10N2O4/c12-7-6(9(14)15)10-5-3-1-2-4-11(5)8(7)13/h12H,1-4H2,(H,14,15)
InChIKeyNQMKMWABGUUAOT-UHFFFAOYSA-N
XLogP-0.02
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 162657086
3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 54683245
3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 59771040
methyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 59771070
3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium
CID 59771086
3-Hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 67147802
Prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
CID 67149124
3-Hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 67318518
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83878709
3-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylic acid
CID 91019702
3-Hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91047313
3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
CID 91047728

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 91534976) is 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2n(c(=O)c1O)CCCC2.
What is the InChIKey of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is NQMKMWABGUUAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-7-6(9(14)15)10-5-3-1-2-4-11(5)8(7)13/h12H,1-4H2,(H,14,15).
What are the key properties of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 91534976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).