2-chloro-4-(3-iodophenoxy)-5-methylpyridine

C12H9ClINO — CID 83267091

IUPAC2-chloro-4-(3-iodophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1cccc(I)c1
InChIInChI=1S/C12H9ClINO/c1-8-7-15-12(13)6-11(8)16-10-4-2-3-9(14)5-10/h2-7H,1H3
InChIKeyKWWLUKOXYFKMAE-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.44
Rot. Bonds2

About 2-chloro-4-(3-iodophenoxy)-5-methylpyridine

2-chloro-4-(3-iodophenoxy)-5-methylpyridine (PubChem CID 83267091) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-chloro-4-(3-iodophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3-iodophenoxy)-5-methylpyridine
PubChem CID83267091
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name2-chloro-4-(3-iodophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1cccc(I)c1
InChIInChI=1S/C12H9ClINO/c1-8-7-15-12(13)6-11(8)16-10-4-2-3-9(14)5-10/h2-7H,1H3
InChIKeyKWWLUKOXYFKMAE-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-iodophenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(3-iodophenoxy)-5-methylpyridine (CID 83267091) is 2-chloro-4-(3-iodophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(3-iodophenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(3-iodophenoxy)-5-methylpyridine is Cc1cnc(Cl)cc1Oc1cccc(I)c1.
What is the InChIKey of 2-chloro-4-(3-iodophenoxy)-5-methylpyridine?
The InChIKey is KWWLUKOXYFKMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c1-8-7-15-12(13)6-11(8)16-10-4-2-3-9(14)5-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(3-iodophenoxy)-5-methylpyridine?
2-chloro-4-(3-iodophenoxy)-5-methylpyridine has a molecular weight of 345.57 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-iodophenoxy)-5-methylpyridine is sourced from PubChem (CID 83267091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).