3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one

C18H13ClFNO — CID 12879341

IUPAC3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C18H13ClFNO/c1-21-10-15(12-5-3-2-4-6-12)18(22)16(11-21)14-8-7-13(20)9-17(14)19/h2-11H,1H3
InChIKeyRQLIJAVEEKLTKO-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.51
Rot. Bonds2

About 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one

3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one (PubChem CID 12879341) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one
PubChem CID12879341
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C18H13ClFNO/c1-21-10-15(12-5-3-2-4-6-12)18(22)16(11-21)14-8-7-13(20)9-17(14)19/h2-11H,1H3
InChIKeyRQLIJAVEEKLTKO-UHFFFAOYSA-N
XLogP4.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-[(2-chloro-6-fluorophenyl)methyl]-2-methylpyridin-4-one
CID 44422620
3-[(2,6-Dichlorophenyl)methyl]-1,2-dimethylpyridin-4(1H)-one
CID 44422575
1-(3-Chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2806187
(E)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 5714064
3-(4-Chlorophenyl)-4-(dimethylamino)but-3-en-2-one
CID 4785622
(E)-4-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]but-3-en-2-one
CID 176436339
(2E)-1-(2-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 19967006
(E)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 67019923
(1Z,6E)-4-(2-chloro-6-fluorobenzyl)-1,7-bis(dimethylamino)-1,6-heptadiene-3,5-dione
CID 5782463
1-(2-Chloro-6-fluorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
CID 5376203
Pyridin-4-one, 3-(3-chlorophenyl)-1-methyl-5-phenyl-
CID 181233
2-Benzyl-1-(2-chloro-4-fluorophenyl)-3-(dimethylamino)propan-1-one
CID 9818502

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one (CID 12879341) is 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one is Cn1cc(-c2ccccc2)c(=O)c(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one?
The InChIKey is RQLIJAVEEKLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-21-10-15(12-5-3-2-4-6-12)18(22)16(11-21)14-8-7-13(20)9-17(14)19/h2-11H,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one?
3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one has a molecular weight of 313.76 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one is sourced from PubChem (CID 12879341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).