1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one

C10H8ClN3O — CID 130056076

IUPAC1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one
SMILESCc1cc(-n2ccccc2=O)nc(Cl)n1
InChIInChI=1S/C10H8ClN3O/c1-7-6-8(13-10(11)12-7)14-5-3-2-4-9(14)15/h2-6H,1H3
InChIKeyFHUYGLXYQPVGRB-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.59
Rot. Bonds1

About 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one

1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one (PubChem CID 130056076) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one
PubChem CID130056076
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one
SMILESCc1cc(-n2ccccc2=O)nc(Cl)n1
InChIInChI=1S/C10H8ClN3O/c1-7-6-8(13-10(11)12-7)14-5-3-2-4-9(14)15/h2-6H,1H3
InChIKeyFHUYGLXYQPVGRB-UHFFFAOYSA-N
XLogP1.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one?
The IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one (CID 130056076) is 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one?
The canonical SMILES for 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one is Cc1cc(-n2ccccc2=O)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one?
The InChIKey is FHUYGLXYQPVGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c1-7-6-8(13-10(11)12-7)14-5-3-2-4-9(14)15/h2-6H,1H3.
What are the key properties of 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one?
1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one has a molecular weight of 221.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyrimidin-4-yl)pyridin-2-one is sourced from PubChem (CID 130056076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).