7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one

C9H5Cl3N2O — CID 71469830

IUPAC7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C9H5Cl3N2O/c10-3-6-2-8(15)14-4-5(11)1-7(12)9(14)13-6/h1-2,4H,3H2
InChIKeyYMJBILJBFGYPFJ-UHFFFAOYSA-N
MW263.51 g/mol
LogP2.74
Rot. Bonds1

About 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one

7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71469830) has the molecular formula C9H5Cl3N2O and a molecular weight of 263.51 g/mol. Its IUPAC name is 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID71469830
Molecular FormulaC9H5Cl3N2O
Molecular Weight263.51 g/mol
Exact Mass261.95
IUPAC Name7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C9H5Cl3N2O/c10-3-6-2-8(15)14-4-5(11)1-7(12)9(14)13-6/h1-2,4H,3H2
InChIKeyYMJBILJBFGYPFJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7,9-dichloropyrido[1,2-a]pyrimidin-4-one
CID 23246547
7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384954
(7-chloro-9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl methanedithioate
CID 167023198
6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 67028901
3-bromo-6,8-dichloro-2-ethylimidazo[1,2-a]pyridine
CID 154666719
7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 121384957
2-(6,8-dichloro-2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82060425
2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 148750494
2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82530558
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 71469830) is 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCl)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YMJBILJBFGYPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O/c10-3-6-2-8(15)14-4-5(11)1-7(12)9(14)13-6/h1-2,4H,3H2.
What are the key properties of 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 263.51 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71469830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).