2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile

C14H10ClF3N2 — CID 89441699

IUPAC2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile
SMILESCC1C=C(C(F)(F)F)N=C(c2cccc(Cl)c2)C1C#N
InChIInChI=1S/C14H10ClF3N2/c1-8-5-12(14(16,17)18)20-13(11(8)7-19)9-3-2-4-10(15)6-9/h2-6,8,11H,1H3
InChIKeyQNOXMHPTCVZZJW-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.36
Rot. Bonds1

About 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile

2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile (PubChem CID 89441699) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile
PubChem CID89441699
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile
SMILESCC1C=C(C(F)(F)F)N=C(c2cccc(Cl)c2)C1C#N
InChIInChI=1S/C14H10ClF3N2/c1-8-5-12(14(16,17)18)20-13(11(8)7-19)9-3-2-4-10(15)6-9/h2-6,8,11H,1H3
InChIKeyQNOXMHPTCVZZJW-UHFFFAOYSA-N
XLogP4.36
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile (CID 89441699) is 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile is CC1C=C(C(F)(F)F)N=C(c2cccc(Cl)c2)C1C#N.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
The InChIKey is QNOXMHPTCVZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2/c1-8-5-12(14(16,17)18)20-13(11(8)7-19)9-3-2-4-10(15)6-9/h2-6,8,11H,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile has a molecular weight of 298.70 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 89441699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).