5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile

C14H11ClN2O — CID 115487857

IUPAC5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(C#N)nc1
InChIInChI=1S/C14H11ClN2O/c1-9-5-11(15)6-10(2)14(9)18-13-4-3-12(7-16)17-8-13/h3-6,8H,1-2H3
InChIKeyIWXDIBUDCIRSHV-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.02
Rot. Bonds2

About 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile

5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile (PubChem CID 115487857) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
PubChem CID115487857
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(C#N)nc1
InChIInChI=1S/C14H11ClN2O/c1-9-5-11(15)6-10(2)14(9)18-13-4-3-12(7-16)17-8-13/h3-6,8H,1-2H3
InChIKeyIWXDIBUDCIRSHV-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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Related Compounds

5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
(1R)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525
5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321409
4-[[2-amino-5-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]amino]benzonitrile
CID 134816025
4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 83125700
3-(4-chloro-2,6-dimethylphenoxy)pyrazine-2-carbonitrile
CID 62685226
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
CID 63510537
4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 115940162
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile (CID 115487857) is 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile is Cc1cc(Cl)cc(C)c1Oc1ccc(C#N)nc1.
What is the InChIKey of 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile?
The InChIKey is IWXDIBUDCIRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-5-11(15)6-10(2)14(9)18-13-4-3-12(7-16)17-8-13/h3-6,8H,1-2H3.
What are the key properties of 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile?
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-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 5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 115487857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).