4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile

C16H15ClN2O — CID 81059931

IUPAC4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Oc2c(C)cc(Cl)cc2C)c(C#N)c(C)n1
InChIInChI=1S/C16H15ClN2O/c1-9-5-13(17)6-10(2)16(9)20-15-7-11(3)19-12(4)14(15)8-18/h5-7H,1-4H3
InChIKeyQHJUPGSISFRNDA-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.63
Rot. Bonds2

About 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile

4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81059931) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81059931
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Oc2c(C)cc(Cl)cc2C)c(C#N)c(C)n1
InChIInChI=1S/C16H15ClN2O/c1-9-5-13(17)6-10(2)16(9)20-15-7-11(3)19-12(4)14(15)8-18/h5-7H,1-4H3
InChIKeyQHJUPGSISFRNDA-UHFFFAOYSA-N
XLogP4.63
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile (CID 81059931) is 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Oc2c(C)cc(Cl)cc2C)c(C#N)c(C)n1.
What is the InChIKey of 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is QHJUPGSISFRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-9-5-13(17)6-10(2)16(9)20-15-7-11(3)19-12(4)14(15)8-18/h5-7H,1-4H3.
What are the key properties of 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 286.76 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81059931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).