6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C13H9ClF3NO — CID 106520370

IUPAC6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cc1Cl
InChIInChI=1S/C13H9ClF3NO/c1-7-2-3-8(4-10(7)14)11-5-9(13(15,16)17)6-12(19)18-11/h2-6H,1H3,(H,18,19)
InChIKeyZSACQVMHAVUIIT-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.02
Rot. Bonds1

About 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106520370) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106520370
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cc1Cl
InChIInChI=1S/C13H9ClF3NO/c1-7-2-3-8(4-10(7)14)11-5-9(13(15,16)17)6-12(19)18-11/h2-6H,1H3,(H,18,19)
InChIKeyZSACQVMHAVUIIT-UHFFFAOYSA-N
XLogP4.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477183
6-(3-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1477184
4-(2-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329701
4-(3-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329703
6-(4-(Trifluoromethyl)phenyl)pyridin-2-ol
CID 45788381
N-[(E)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
CID 135071135
N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
CID 135085974
N-[(Z)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
CID 135087063
N-(1-(4-Chlorophenyl)vinyl)acetamide
CID 11159894
N-[1-(2-Chlorophenyl)ethenyl]acetamide
CID 11957955
6-(4-chloro-phenyl)-4-trifluoromethyl-1H-pyridin-2-one
CID 11119266
2-[1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-3-one
CID 20571015

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106520370) is 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1ccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZSACQVMHAVUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c1-7-2-3-8(4-10(7)14)11-5-9(13(15,16)17)6-12(19)18-11/h2-6H,1H3,(H,18,19).
What are the key properties of 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 287.67 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106520370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).