4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride

C9H7ClN2O3 — CID 56684110

IUPAC4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2ccccn2c1=O
InChIInChI=1S/C9H6N2O3.ClH/c12-8-6(9(13)14)5-10-7-3-1-2-4-11(7)8;/h1-5H,(H,13,14);1H
InChIKeyLSIGZSGHORQZTP-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.81
Rot. Bonds1

About 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride

4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride (PubChem CID 56684110) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
PubChem CID56684110
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2ccccn2c1=O
InChIInChI=1S/C9H6N2O3.ClH/c12-8-6(9(13)14)5-10-7-3-1-2-4-11(7)8;/h1-5H,(H,13,14);1H
InChIKeyLSIGZSGHORQZTP-UHFFFAOYSA-N
XLogP0.81
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304

Frequently Asked Questions

What is the IUPAC name of 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride (CID 56684110) is 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
The InChIKey is LSIGZSGHORQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3.ClH/c12-8-6(9(13)14)5-10-7-3-1-2-4-11(7)8;/h1-5H,(H,13,14);1H.
What are the key properties of 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride?
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride has a molecular weight of 226.62 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 56684110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).