3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one

C15H14ClNO — CID 82521184

IUPAC3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one
SMILESO=c1c(CCl)ccc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C15H14ClNO/c16-10-12-6-9-14(11-4-2-1-3-5-11)17(15(12)18)13-7-8-13/h1-6,9,13H,7-8,10H2
InChIKeyORRIEQHARGQBIO-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.59
Rot. Bonds3

About 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one

3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one (PubChem CID 82521184) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one
PubChem CID82521184
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one
SMILESO=c1c(CCl)ccc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C15H14ClNO/c16-10-12-6-9-14(11-4-2-1-3-5-11)17(15(12)18)13-7-8-13/h1-6,9,13H,7-8,10H2
InChIKeyORRIEQHARGQBIO-UHFFFAOYSA-N
XLogP3.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one (CID 82521184) is 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one is O=c1c(CCl)ccc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one?
The InChIKey is ORRIEQHARGQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-10-12-6-9-14(11-4-2-1-3-5-11)17(15(12)18)13-7-8-13/h1-6,9,13H,7-8,10H2.
What are the key properties of 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one?
3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one has a molecular weight of 259.74 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one is sourced from PubChem (CID 82521184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).