7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane

C11H13ClN2O — CID 155702919

IUPAC7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C9H7ClN2O.C2H6/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6;1-2/h2-5H,1H3;1-2H3
InChIKeyXQJWTFRHXOOYGK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.68
Rot. Bonds

About 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane

7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 155702919) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane
PubChem CID155702919
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C9H7ClN2O.C2H6/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6;1-2/h2-5H,1H3;1-2H3
InChIKeyXQJWTFRHXOOYGK-UHFFFAOYSA-N
XLogP2.68
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3-chloro-2,6-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3255478
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
7-bromo-3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 880093
7-Bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 776362
7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 4413815
2,7-dichloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 7131618
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane (CID 155702919) is 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane is CC.Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is XQJWTFRHXOOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.C2H6/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 224.69 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 155702919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).