3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one

C19H15ClF2N2O — CID 44523869

IUPAC3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(C(F)F)cc3)nc2)c(=O)c1Cl
InChIInChI=1S/C19H15ClF2N2O/c1-10-16(18(25)17(20)11(2)24-10)14-7-8-15(23-9-14)12-3-5-13(6-4-12)19(21)22/h3-9,19H,1-2H3,(H,24,25)
InChIKeyNOKSHIPMYORDSO-UHFFFAOYSA-N
MW360.79 g/mol
LogP5.31
Rot. Bonds3

About 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one

3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44523869) has the molecular formula C19H15ClF2N2O and a molecular weight of 360.79 g/mol. Its IUPAC name is 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44523869
Molecular FormulaC19H15ClF2N2O
Molecular Weight360.79 g/mol
Exact Mass360.08
IUPAC Name3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(C(F)F)cc3)nc2)c(=O)c1Cl
InChIInChI=1S/C19H15ClF2N2O/c1-10-16(18(25)17(20)11(2)24-10)14-7-8-15(23-9-14)12-3-5-13(6-4-12)19(21)22/h3-9,19H,1-2H3,(H,24,25)
InChIKeyNOKSHIPMYORDSO-UHFFFAOYSA-N
XLogP5.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.79
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-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

Related Compounds

N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
CID 138490227
[4-Amino-2-(trifluoromethyl)pyridin-3-yl](phenyl)methanone
CID 684466
4-(3-chloropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 11428847
N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 11661499
3-bromo-5-[6-(4-butylphenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44529117
3-chloro-5-(6-heptyl-3-pyridinyl)-2,6-dimethyl-1H-pyridin-4-one
CID 44529243
3-bromo-2,6-dimethyl-5-[6-[2-(trifluoromethyl)phenyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529320
3-bromo-2,6-dimethyl-5-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529351
3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529364
3-bromo-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529365
3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529366
3-[6-[2,4-bis(trifluoromethyl)phenyl]pyridin-3-yl]-5-bromo-2,6-dimethyl-1H-pyridin-4-one
CID 44529497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44523869) is 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(-c3ccc(C(F)F)cc3)nc2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is NOKSHIPMYORDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O/c1-10-16(18(25)17(20)11(2)24-10)14-7-8-15(23-9-14)12-3-5-13(6-4-12)19(21)22/h3-9,19H,1-2H3,(H,24,25).
What are the key properties of 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 360.79 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44523869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).