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

C9H7FN2O — CID 130051210

IUPAC7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C9H7FN2O/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6/h2-5H,1H3
InChIKeyAZDBMGQAMGUNKP-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.14
Rot. Bonds

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

7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 130051210) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID130051210
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C9H7FN2O/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6/h2-5H,1H3
InChIKeyAZDBMGQAMGUNKP-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 130051210) is 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AZDBMGQAMGUNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-6-4-9(13)12-5-7(10)2-3-8(12)11-6/h2-5H,1H3.
What are the key properties of 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
7-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 7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 130051210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).