2-chloro-4-iodo-6-phenylmethoxypyridine

C12H9ClINO — CID 86657057

IUPAC2-chloro-4-iodo-6-phenylmethoxypyridine
SMILESClc1cc(I)cc(OCc2ccccc2)n1
InChIInChI=1S/C12H9ClINO/c13-11-6-10(14)7-12(15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQXXDLIAWSMMFNM-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-4-iodo-6-phenylmethoxypyridine

2-chloro-4-iodo-6-phenylmethoxypyridine (PubChem CID 86657057) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-chloro-4-iodo-6-phenylmethoxypyridine.

Molecular Properties

Compound Name2-chloro-4-iodo-6-phenylmethoxypyridine
PubChem CID86657057
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name2-chloro-4-iodo-6-phenylmethoxypyridine
SMILESClc1cc(I)cc(OCc2ccccc2)n1
InChIInChI=1S/C12H9ClINO/c13-11-6-10(14)7-12(15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQXXDLIAWSMMFNM-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-chloro-4-iodo-6-phenylmethoxypyridine 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-chloro-4-iodo-6-phenylmethoxypyridine?
The IUPAC name of 2-chloro-4-iodo-6-phenylmethoxypyridine (CID 86657057) is 2-chloro-4-iodo-6-phenylmethoxypyridine.
What is the SMILES notation for 2-chloro-4-iodo-6-phenylmethoxypyridine?
The canonical SMILES for 2-chloro-4-iodo-6-phenylmethoxypyridine is Clc1cc(I)cc(OCc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-iodo-6-phenylmethoxypyridine?
The InChIKey is QXXDLIAWSMMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-11-6-10(14)7-12(15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-chloro-4-iodo-6-phenylmethoxypyridine?
2-chloro-4-iodo-6-phenylmethoxypyridine has a molecular weight of 345.57 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-6-phenylmethoxypyridine is sourced from PubChem (CID 86657057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).