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

C8H4Cl2N2O — CID 7131618

IUPAC2,7-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C8H4Cl2N2O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H
InChIKeyNTUDDGZNPQEOQZ-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.00
Rot. Bonds

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

2,7-dichloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 7131618) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,7-dichloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-dichloropyrido[1,2-a]pyrimidin-4-one
PubChem CID7131618
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name2,7-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C8H4Cl2N2O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H
InChIKeyNTUDDGZNPQEOQZ-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

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
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-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
7-bromo-2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 3614131
8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one
CID 83892083
8-bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 146050186

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,7-dichloropyrido[1,2-a]pyrimidin-4-one (CID 7131618) is 2,7-dichloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,7-dichloropyrido[1,2-a]pyrimidin-4-one is O=c1cc(Cl)nc2ccc(Cl)cn12.
What is the InChIKey of 2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NTUDDGZNPQEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H.
What are the key properties of 2,7-dichloropyrido[1,2-a]pyrimidin-4-one?
2,7-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 2,7-dichloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 7131618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).