3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one

C19H13Cl2F2NO2 — CID 50942994

IUPAC3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2c(F)cccc2F)cc1C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2F2NO2/c20-13-3-1-4-14(21)18(13)19(26)12-10-24(8-7-17(12)25)9-11-15(22)5-2-6-16(11)23/h1-8,10,19,26H,9H2
InChIKeyORBYXNZNXSESGO-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.56
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one

3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one (PubChem CID 50942994) has the molecular formula C19H13Cl2F2NO2 and a molecular weight of 396.22 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one
PubChem CID50942994
Molecular FormulaC19H13Cl2F2NO2
Molecular Weight396.22 g/mol
Exact Mass395.03
IUPAC Name3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2c(F)cccc2F)cc1C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2F2NO2/c20-13-3-1-4-14(21)18(13)19(26)12-10-24(8-7-17(12)25)9-11-15(22)5-2-6-16(11)23/h1-8,10,19,26H,9H2
InChIKeyORBYXNZNXSESGO-UHFFFAOYSA-N
XLogP4.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one (CID 50942994) is 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one is O=c1ccn(Cc2c(F)cccc2F)cc1C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one?
The InChIKey is ORBYXNZNXSESGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2NO2/c20-13-3-1-4-14(21)18(13)19(26)12-10-24(8-7-17(12)25)9-11-15(22)5-2-6-16(11)23/h1-8,10,19,26H,9H2.
What are the key properties of 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one?
3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one has a molecular weight of 396.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)-hydroxymethyl]-1-[(2,6-difluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 50942994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).