6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H15ClF3N3 — CID 3814430

IUPAC6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(CC)c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C17H15ClF3N3/c1-3-24(4-2)16-13(10-22)14(17(19,20)21)9-15(23-16)11-5-7-12(18)8-6-11/h5-9H,3-4H2,1-2H3
InChIKeyUJGSFZGTYSLTAW-UHFFFAOYSA-N
MW353.78 g/mol
LogP5.14
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 3814430) has the molecular formula C17H15ClF3N3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID3814430
Molecular FormulaC17H15ClF3N3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(CC)c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C17H15ClF3N3/c1-3-24(4-2)16-13(10-22)14(17(19,20)21)9-15(23-16)11-5-7-12(18)8-6-11/h5-9H,3-4H2,1-2H3
InChIKeyUJGSFZGTYSLTAW-UHFFFAOYSA-N
XLogP5.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.78
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 3814430) is 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is CCN(CC)c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UJGSFZGTYSLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3/c1-3-24(4-2)16-13(10-22)14(17(19,20)21)9-15(23-16)11-5-7-12(18)8-6-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 353.78 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3814430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).