2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one

C9H6ClFN2O — CID 118513921

IUPAC2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(F)cn2c(=O)cc(Cl)nc12
InChIInChI=1S/C9H6ClFN2O/c1-5-2-6(11)4-13-8(14)3-7(10)12-9(5)13/h2-4H,1H3
InChIKeyYPUIEWOKMDRBIR-UHFFFAOYSA-N
MW212.61 g/mol
LogP1.80
Rot. Bonds

About 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one

2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 118513921) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID118513921
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(F)cn2c(=O)cc(Cl)nc12
InChIInChI=1S/C9H6ClFN2O/c1-5-2-6(11)4-13-8(14)3-7(10)12-9(5)13/h2-4H,1H3
InChIKeyYPUIEWOKMDRBIR-UHFFFAOYSA-N
XLogP1.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 118513921) is 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(F)cn2c(=O)cc(Cl)nc12.
What is the InChIKey of 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YPUIEWOKMDRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c1-5-2-6(11)4-13-8(14)3-7(10)12-9(5)13/h2-4H,1H3.
What are the key properties of 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 212.61 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118513921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).