2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one

C19H15ClFNO — CID 134565207

IUPAC2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
SMILESCc1cccc(-c2cc(=O)ccn2Cc2ccccc2F)c1Cl
InChIInChI=1S/C19H15ClFNO/c1-13-5-4-7-16(19(13)20)18-11-15(23)9-10-22(18)12-14-6-2-3-8-17(14)21/h2-11H,12H2,1H3
InChIKeyPQTFGDIZKUVJBH-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one

2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one (PubChem CID 134565207) has the molecular formula C19H15ClFNO and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
PubChem CID134565207
Molecular FormulaC19H15ClFNO
Molecular Weight327.79 g/mol
Exact Mass327.08
IUPAC Name2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
SMILESCc1cccc(-c2cc(=O)ccn2Cc2ccccc2F)c1Cl
InChIInChI=1S/C19H15ClFNO/c1-13-5-4-7-16(19(13)20)18-11-15(23)9-10-22(18)12-14-6-2-3-8-17(14)21/h2-11H,12H2,1H3
InChIKeyPQTFGDIZKUVJBH-UHFFFAOYSA-N
XLogP4.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one (CID 134565207) is 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one is Cc1cccc(-c2cc(=O)ccn2Cc2ccccc2F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The InChIKey is PQTFGDIZKUVJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO/c1-13-5-4-7-16(19(13)20)18-11-15(23)9-10-22(18)12-14-6-2-3-8-17(14)21/h2-11H,12H2,1H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one has a molecular weight of 327.79 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 134565207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).