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

C9H7ClN2O — CID 11052538

IUPAC7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one
SMILESCc1cc(=O)nc2ccc(Cl)cn12
InChIInChI=1S/C9H7ClN2O/c1-6-4-9(13)11-8-3-2-7(10)5-12(6)8/h2-5H,1H3
InChIKeyJLYJKZQQALBNQW-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.66
Rot. Bonds

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

7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one (PubChem CID 11052538) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one
PubChem CID11052538
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one
SMILESCc1cc(=O)nc2ccc(Cl)cn12
InChIInChI=1S/C9H7ClN2O/c1-6-4-9(13)11-8-3-2-7(10)5-12(6)8/h2-5H,1H3
InChIKeyJLYJKZQQALBNQW-UHFFFAOYSA-N
XLogP1.66
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.66
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
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
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-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 776367
2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 2434823
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one (CID 11052538) is 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one is Cc1cc(=O)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one?
The InChIKey is JLYJKZQQALBNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-4-9(13)11-8-3-2-7(10)5-12(6)8/h2-5H,1H3.
What are the key properties of 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one?
7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one has a molecular weight of 194.62 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methylpyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 11052538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).