5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

C19H10ClF3N2O — CID 3454515

IUPAC5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H10ClF3N2O/c20-16-6-4-12(5-7-16)14-8-13(10-24)18(25-11-14)26-17-3-1-2-15(9-17)19(21,22)23/h1-9,11H
InChIKeyMGJWFWNRSBRKDY-UHFFFAOYSA-N
MW374.75 g/mol
LogP6.08
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 3454515) has the molecular formula C19H10ClF3N2O and a molecular weight of 374.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID3454515
Molecular FormulaC19H10ClF3N2O
Molecular Weight374.75 g/mol
Exact Mass374.04
IUPAC Name5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H10ClF3N2O/c20-16-6-4-12(5-7-16)14-8-13(10-24)18(25-11-14)26-17-3-1-2-15(9-17)19(21,22)23/h1-9,11H
InChIKeyMGJWFWNRSBRKDY-UHFFFAOYSA-N
XLogP6.08
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 3454515) is 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)cnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is MGJWFWNRSBRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O/c20-16-6-4-12(5-7-16)14-8-13(10-24)18(25-11-14)26-17-3-1-2-15(9-17)19(21,22)23/h1-9,11H.
What are the key properties of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 374.75 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 3454515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).