2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile

C16H15ClN2O — CID 43240834

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ncccc1C#N
InChIInChI=1S/C16H15ClN2O/c1-10(2)13-8-15(11(3)7-14(13)17)20-16-12(9-18)5-4-6-19-16/h4-8,10H,1-3H3
InChIKeyIFAMOXATXVUSMO-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.83
Rot. Bonds3

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile (PubChem CID 43240834) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
PubChem CID43240834
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ncccc1C#N
InChIInChI=1S/C16H15ClN2O/c1-10(2)13-8-15(11(3)7-14(13)17)20-16-12(9-18)5-4-6-19-16/h4-8,10H,1-3H3
InChIKeyIFAMOXATXVUSMO-UHFFFAOYSA-N
XLogP4.83
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile (CID 43240834) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile is Cc1cc(Cl)c(C(C)C)cc1Oc1ncccc1C#N.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The InChIKey is IFAMOXATXVUSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10(2)13-8-15(11(3)7-14(13)17)20-16-12(9-18)5-4-6-19-16/h4-8,10H,1-3H3.
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile has a molecular weight of 286.76 g/mol, XLogP of 4.83, 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-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 43240834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).