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

C9H11ClN2O3 — CID 155167587

IUPAC4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C9H10N2O3.ClH/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8;/h5H,1-4H2,(H,13,14);1H
InChIKeyMCNDPSHWSYLUMB-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.70
Rot. Bonds1

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

4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride (PubChem CID 155167587) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride
PubChem CID155167587
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C9H10N2O3.ClH/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8;/h5H,1-4H2,(H,13,14);1H
InChIKeyMCNDPSHWSYLUMB-UHFFFAOYSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride (CID 155167587) is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(=O)n2c(n1)CCCC2.
What is the InChIKey of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?
The InChIKey is MCNDPSHWSYLUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.ClH/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8;/h5H,1-4H2,(H,13,14);1H.
What are the key properties of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?
4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride has a molecular weight of 230.65 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 155167587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).