2-iodo-5-methylpyridine

C6H6IN — CID 11736116

IUPAC2-iodo-5-methylpyridine
SMILESCc1ccc(I)nc1
InChIInChI=1S/C6H6IN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyXOODLNRDHSTOQJ-UHFFFAOYSA-N
MW219.03 g/mol
LogP1.99
Rot. Bonds

About 2-iodo-5-methylpyridine

2-iodo-5-methylpyridine (PubChem CID 11736116) has the molecular formula C6H6IN and a molecular weight of 219.03 g/mol. Its IUPAC name is 2-iodo-5-methylpyridine.

Molecular Properties

Compound Name2-iodo-5-methylpyridine
PubChem CID11736116
Molecular FormulaC6H6IN
Molecular Weight219.03 g/mol
Exact Mass218.95
IUPAC Name2-iodo-5-methylpyridine
SMILESCc1ccc(I)nc1
InChIInChI=1S/C6H6IN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyXOODLNRDHSTOQJ-UHFFFAOYSA-N
XLogP1.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-iodo-5-methylpyridine?
The IUPAC name of 2-iodo-5-methylpyridine (CID 11736116) is 2-iodo-5-methylpyridine.
What is the SMILES notation for 2-iodo-5-methylpyridine?
The canonical SMILES for 2-iodo-5-methylpyridine is Cc1ccc(I)nc1.
What is the InChIKey of 2-iodo-5-methylpyridine?
The InChIKey is XOODLNRDHSTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3.
What are the key properties of 2-iodo-5-methylpyridine?
2-iodo-5-methylpyridine has a molecular weight of 219.03 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methylpyridine is sourced from PubChem (CID 11736116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).