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

C14H11IN2O — CID 61175544

IUPAC2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccc(I)cc2)n1
InChIInChI=1S/C14H11IN2O/c1-9-7-10(2)17-14(13(9)8-16)18-12-5-3-11(15)4-6-12/h3-7H,1-2H3
InChIKeyKGUGIXVBTGXUSW-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.97
Rot. Bonds2

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

2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61175544) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61175544
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccc(I)cc2)n1
InChIInChI=1S/C14H11IN2O/c1-9-7-10(2)17-14(13(9)8-16)18-12-5-3-11(15)4-6-12/h3-7H,1-2H3
InChIKeyKGUGIXVBTGXUSW-UHFFFAOYSA-N
XLogP3.97
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-iodophenoxy)-4,6-dimethylpyridine-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-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile (CID 61175544) is 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2ccc(I)cc2)n1.
What is the InChIKey of 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KGUGIXVBTGXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c1-9-7-10(2)17-14(13(9)8-16)18-12-5-3-11(15)4-6-12/h3-7H,1-2H3.
What are the key properties of 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 350.16 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61175544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).