2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C18H9ClF3N3 — CID 10594649

IUPAC2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H9ClF3N3/c19-12-6-4-11(5-7-12)17-13(10-23)14(18(20,21)22)9-16(25-17)15-3-1-2-8-24-15/h1-9H
InChIKeyBWUKUBLZBNSBTO-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.35
Rot. Bonds2

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

2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10594649) has the molecular formula C18H9ClF3N3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10594649
Molecular FormulaC18H9ClF3N3
Molecular Weight359.74 g/mol
Exact Mass359.04
IUPAC Name2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H9ClF3N3/c19-12-6-4-11(5-7-12)17-13(10-23)14(18(20,21)22)9-16(25-17)15-3-1-2-8-24-15/h1-9H
InChIKeyBWUKUBLZBNSBTO-UHFFFAOYSA-N
XLogP5.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.74
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10594649) is 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccn2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BWUKUBLZBNSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3/c19-12-6-4-11(5-7-12)17-13(10-23)14(18(20,21)22)9-16(25-17)15-3-1-2-8-24-15/h1-9H.
What are the key properties of 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 359.74 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10594649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).