3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one

C9H6Cl2N2O — CID 789976

IUPAC3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c(=O)c1Cl
InChIInChI=1S/C9H6Cl2N2O/c1-5-8(11)9(14)13-4-6(10)2-3-7(13)12-5/h2-4H,1H3
InChIKeyQCEOJYIJFXRGBM-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.31
Rot. Bonds

About 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one

3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 789976) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID789976
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c(=O)c1Cl
InChIInChI=1S/C9H6Cl2N2O/c1-5-8(11)9(14)13-4-6(10)2-3-7(13)12-5/h2-4H,1H3
InChIKeyQCEOJYIJFXRGBM-UHFFFAOYSA-N
XLogP2.31
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.31
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
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-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-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
3-Chloro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 288320
3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2774831
7-Chloro-4-methyl-pyrido[1,2-a]pyrimidin-2-one
CID 11052538

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 789976) is 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(Cl)cn2c(=O)c1Cl.
What is the InChIKey of 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QCEOJYIJFXRGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c1-5-8(11)9(14)13-4-6(10)2-3-7(13)12-5/h2-4H,1H3.
What are the key properties of 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 229.07 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 789976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).