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

C19H10ClF3N2O — CID 3697093

IUPAC4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)ccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H10ClF3N2O/c20-14-6-4-12(5-7-14)16-8-9-25-18(17(16)11-24)26-15-3-1-2-13(10-15)19(21,22)23/h1-10H
InChIKeyUUDARFGBFIDLAJ-UHFFFAOYSA-N
MW374.75 g/mol
LogP6.08
Rot. Bonds3

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

4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 3697093) has the molecular formula C19H10ClF3N2O and a molecular weight of 374.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID3697093
Molecular FormulaC19H10ClF3N2O
Molecular Weight374.75 g/mol
Exact Mass374.04
IUPAC Name4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)ccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H10ClF3N2O/c20-14-6-4-12(5-7-14)16-8-9-25-18(17(16)11-24)26-15-3-1-2-13(10-15)19(21,22)23/h1-10H
InChIKeyUUDARFGBFIDLAJ-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 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 3697093) is 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)ccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is UUDARFGBFIDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O/c20-14-6-4-12(5-7-14)16-8-9-25-18(17(16)11-24)26-15-3-1-2-13(10-15)19(21,22)23/h1-10H.
What are the key properties of 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
4-(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 4-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 3697093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).