4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C14H7Cl2F3N2O — CID 168586080

IUPAC4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Cl)c(Cl)c(C(F)(F)F)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H7Cl2F3N2O/c1-6-2-8(9(5-20)13(22)21-6)7-3-10(14(17,18)19)12(16)11(15)4-7/h2-4H,1H3,(H,21,22)
InChIKeyTVLUQVRMUGNQNV-UHFFFAOYSA-N
MW347.12 g/mol
LogP4.55
Rot. Bonds1

About 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586080) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586080
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Cl)c(Cl)c(C(F)(F)F)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H7Cl2F3N2O/c1-6-2-8(9(5-20)13(22)21-6)7-3-10(14(17,18)19)12(16)11(15)4-7/h2-4H,1H3,(H,21,22)
InChIKeyTVLUQVRMUGNQNV-UHFFFAOYSA-N
XLogP4.55
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585524
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-(2,3-dichloro-5,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587267
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585663
4-[5-bromo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585446
4-[4-iodo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585845
6-methyl-2-oxo-4-[3-(trifluoromethyl)-1-benzothiophen-5-yl]-1H-pyridine-3-carbonitrile
CID 168585852

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586080) is 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(Cl)c(Cl)c(C(F)(F)F)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is TVLUQVRMUGNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c1-6-2-8(9(5-20)13(22)21-6)7-3-10(14(17,18)19)12(16)11(15)4-7/h2-4H,1H3,(H,21,22).
What are the key properties of 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 347.12 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).