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

C19H11ClF3N3O — CID 168585663

IUPAC4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H11ClF3N3O/c1-10-6-14(15(8-24)18(27)26-10)11-2-4-12(5-3-11)17-16(20)7-13(9-25-17)19(21,22)23/h2-7,9H,1H3,(H,26,27)
InChIKeyZZYYLJBFDKEEFM-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.96
Rot. Bonds2

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

4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585663) has the molecular formula C19H11ClF3N3O and a molecular weight of 389.76 g/mol. Its IUPAC name is 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585663
Molecular FormulaC19H11ClF3N3O
Molecular Weight389.76 g/mol
Exact Mass389.05
IUPAC Name4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H11ClF3N3O/c1-10-6-14(15(8-24)18(27)26-10)11-2-4-12(5-3-11)17-16(20)7-13(9-25-17)19(21,22)23/h2-7,9H,1H3,(H,26,27)
InChIKeyZZYYLJBFDKEEFM-UHFFFAOYSA-N
XLogP4.96
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586080
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[4-(5-cyano-2-pyridinyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585620
4-(3-chloro-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587004
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586865
6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168584768
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585663) is 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZZYYLJBFDKEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O/c1-10-6-14(15(8-24)18(27)26-10)11-2-4-12(5-3-11)17-16(20)7-13(9-25-17)19(21,22)23/h2-7,9H,1H3,(H,26,27).
What are the key properties of 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 389.76 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).