2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

C14H11ClN2O — CID 61175739

IUPAC2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccccc2Cl)n1
InChIInChI=1S/C14H11ClN2O/c1-9-7-10(2)17-14(11(9)8-16)18-13-6-4-3-5-12(13)15/h3-7H,1-2H3
InChIKeyCZSYQYUIFYDGAT-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.02
Rot. Bonds2

About 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61175739) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61175739
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccccc2Cl)n1
InChIInChI=1S/C14H11ClN2O/c1-9-7-10(2)17-14(11(9)8-16)18-13-6-4-3-5-12(13)15/h3-7H,1-2H3
InChIKeyCZSYQYUIFYDGAT-UHFFFAOYSA-N
XLogP4.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (CID 61175739) is 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is CZSYQYUIFYDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-7-10(2)17-14(11(9)8-16)18-13-6-4-3-5-12(13)15/h3-7H,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).