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

C18H9ClF3N3 — CID 10618480

IUPAC6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1-c1ccccn1
InChIInChI=1S/C18H9ClF3N3/c19-12-6-4-11(5-7-12)16-9-14(18(20,21)22)13(10-23)17(25-16)15-3-1-2-8-24-15/h1-9H
InChIKeyBCZAQFZWAJAMDG-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.35
Rot. Bonds2

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

6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10618480) has the molecular formula C18H9ClF3N3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10618480
Molecular FormulaC18H9ClF3N3
Molecular Weight359.74 g/mol
Exact Mass359.04
IUPAC Name6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1-c1ccccn1
InChIInChI=1S/C18H9ClF3N3/c19-12-6-4-11(5-7-12)16-9-14(18(20,21)22)13(10-23)17(25-16)15-3-1-2-8-24-15/h1-9H
InChIKeyBCZAQFZWAJAMDG-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 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10618480) is 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1-c1ccccn1.
What is the InChIKey of 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BCZAQFZWAJAMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3/c19-12-6-4-11(5-7-12)16-9-14(18(20,21)22)13(10-23)17(25-16)15-3-1-2-8-24-15/h1-9H.
What are the key properties of 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-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 6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10618480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).