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

C9H7FN2O — CID 169193918

IUPAC3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1F
InChIInChI=1S/C9H7FN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3
InChIKeyRNQXRJVFOCYCFI-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.14
Rot. Bonds

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

3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 169193918) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID169193918
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1F
InChIInChI=1S/C9H7FN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3
InChIKeyRNQXRJVFOCYCFI-UHFFFAOYSA-N
XLogP1.14
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.14
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
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 4413815
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
7-Bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291525
2-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
7-fluoro-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 136629818
3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2774831

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 169193918) is 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1F.
What is the InChIKey of 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RNQXRJVFOCYCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3.
What are the key properties of 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 178.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 169193918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).