7,9-dichloropyrido[1,2-a]pyrimidin-4-one

C8H4Cl2N2O — CID 23246547

IUPAC7,9-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C8H4Cl2N2O/c9-5-3-6(10)8-11-2-1-7(13)12(8)4-5/h1-4H
InChIKeyLARWNIJAMGEQRI-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.00
Rot. Bonds

About 7,9-dichloropyrido[1,2-a]pyrimidin-4-one

7,9-dichloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 23246547) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 7,9-dichloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dichloropyrido[1,2-a]pyrimidin-4-one
PubChem CID23246547
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name7,9-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C8H4Cl2N2O/c9-5-3-6(10)8-11-2-1-7(13)12(8)4-5/h1-4H
InChIKeyLARWNIJAMGEQRI-UHFFFAOYSA-N
XLogP2.00
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71469830
(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82069651
(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82069649
3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134128891
3-bromo-6,8-dichloro-2-ethylimidazo[1,2-a]pyridine
CID 154666719
9-methoxypyrimido[1,6-a]pyrimidin-4-one
CID 14868463
2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530701
3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one
CID 13268369
2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82530558
6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 67028901
1-(4-chlorophenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethanone
CID 29180949
2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82060428

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dichloropyrido[1,2-a]pyrimidin-4-one (CID 23246547) is 7,9-dichloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dichloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dichloropyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 7,9-dichloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LARWNIJAMGEQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-5-3-6(10)8-11-2-1-7(13)12(8)4-5/h1-4H.
What are the key properties of 7,9-dichloropyrido[1,2-a]pyrimidin-4-one?
7,9-dichloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 215.04 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23246547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).