2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile

C18H9Cl2FN2O — CID 2765291

IUPAC2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H9Cl2FN2O/c19-15-7-6-14(9-16(15)20)24-18-12(10-22)3-8-17(23-18)11-1-4-13(21)5-2-11/h1-9H
InChIKeyDIPMIJOELRXPKR-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.86
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile

2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 2765291) has the molecular formula C18H9Cl2FN2O and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
PubChem CID2765291
Molecular FormulaC18H9Cl2FN2O
Molecular Weight359.19 g/mol
Exact Mass358.01
IUPAC Name2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H9Cl2FN2O/c19-15-7-6-14(9-16(15)20)24-18-12(10-22)3-8-17(23-18)11-1-4-13(21)5-2-11/h1-9H
InChIKeyDIPMIJOELRXPKR-UHFFFAOYSA-N
XLogP5.86
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.19
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (CID 2765291) is 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is DIPMIJOELRXPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2FN2O/c19-15-7-6-14(9-16(15)20)24-18-12(10-22)3-8-17(23-18)11-1-4-13(21)5-2-11/h1-9H.
What are the key properties of 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 359.19 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2765291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).