2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile

C13H8ClFN2O — CID 114766993

IUPAC2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H8ClFN2O/c1-8-5-9(7-16)6-12(17-8)18-11-4-2-3-10(14)13(11)15/h2-6H,1H3
InChIKeyJADDRHKZHUSFOW-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile

2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 114766993) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
PubChem CID114766993
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H8ClFN2O/c1-8-5-9(7-16)6-12(17-8)18-11-4-2-3-10(14)13(11)15/h2-6H,1H3
InChIKeyJADDRHKZHUSFOW-UHFFFAOYSA-N
XLogP3.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile (CID 114766993) is 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is JADDRHKZHUSFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c1-8-5-9(7-16)6-12(17-8)18-11-4-2-3-10(14)13(11)15/h2-6H,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile has a molecular weight of 262.67 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).