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

C9H7ClN2O — CID 2774831

IUPAC3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1Cl
InChIInChI=1S/C9H7ClN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3
InChIKeyRFTUUEWMJJYMNE-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.66
Rot. Bonds

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

3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2774831) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2774831
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1Cl
InChIInChI=1S/C9H7ClN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3
InChIKeyRFTUUEWMJJYMNE-UHFFFAOYSA-N
XLogP1.66
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 2774831) is 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1Cl.
What is the InChIKey of 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RFTUUEWMJJYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/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-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 194.62 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2774831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).