2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile

C19H12ClFN2O — CID 2765294

IUPAC2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1Oc1nc(-c2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C19H12ClFN2O/c1-12-10-15(20)5-9-18(12)24-19-14(11-22)4-8-17(23-19)13-2-6-16(21)7-3-13/h2-10H,1H3
InChIKeyMGZAAXJGZDYWMW-UHFFFAOYSA-N
MW338.77 g/mol
LogP5.51
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile

2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 2765294) has the molecular formula C19H12ClFN2O and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
PubChem CID2765294
Molecular FormulaC19H12ClFN2O
Molecular Weight338.77 g/mol
Exact Mass338.06
IUPAC Name2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1Oc1nc(-c2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C19H12ClFN2O/c1-12-10-15(20)5-9-18(12)24-19-14(11-22)4-8-17(23-19)13-2-6-16(21)7-3-13/h2-10H,1H3
InChIKeyMGZAAXJGZDYWMW-UHFFFAOYSA-N
XLogP5.51
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.77
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (CID 2765294) is 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is Cc1cc(Cl)ccc1Oc1nc(-c2ccc(F)cc2)ccc1C#N.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is MGZAAXJGZDYWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O/c1-12-10-15(20)5-9-18(12)24-19-14(11-22)4-8-17(23-19)13-2-6-16(21)7-3-13/h2-10H,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 338.77 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2765294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).