6-(azetidin-1-yl)-3-iodo-2-methylpyridine

C9H11IN2 — CID 176729989

IUPAC6-(azetidin-1-yl)-3-iodo-2-methylpyridine
SMILESCc1nc(N2CCC2)ccc1I
InChIInChI=1S/C9H11IN2/c1-7-8(10)3-4-9(11-7)12-5-2-6-12/h3-4H,2,5-6H2,1H3
InChIKeyNKZAKGZZBUCDHP-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.20
Rot. Bonds1

About 6-(azetidin-1-yl)-3-iodo-2-methylpyridine

6-(azetidin-1-yl)-3-iodo-2-methylpyridine (PubChem CID 176729989) has the molecular formula C9H11IN2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-3-iodo-2-methylpyridine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-3-iodo-2-methylpyridine
PubChem CID176729989
Molecular FormulaC9H11IN2
Molecular Weight274.11 g/mol
Exact Mass274.00
IUPAC Name6-(azetidin-1-yl)-3-iodo-2-methylpyridine
SMILESCc1nc(N2CCC2)ccc1I
InChIInChI=1S/C9H11IN2/c1-7-8(10)3-4-9(11-7)12-5-2-6-12/h3-4H,2,5-6H2,1H3
InChIKeyNKZAKGZZBUCDHP-UHFFFAOYSA-N
XLogP2.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(azetidin-1-yl)-3-iodo-2-methylpyridine 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 6-(azetidin-1-yl)-3-iodo-2-methylpyridine?
The IUPAC name of 6-(azetidin-1-yl)-3-iodo-2-methylpyridine (CID 176729989) is 6-(azetidin-1-yl)-3-iodo-2-methylpyridine.
What is the SMILES notation for 6-(azetidin-1-yl)-3-iodo-2-methylpyridine?
The canonical SMILES for 6-(azetidin-1-yl)-3-iodo-2-methylpyridine is Cc1nc(N2CCC2)ccc1I.
What is the InChIKey of 6-(azetidin-1-yl)-3-iodo-2-methylpyridine?
The InChIKey is NKZAKGZZBUCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2/c1-7-8(10)3-4-9(11-7)12-5-2-6-12/h3-4H,2,5-6H2,1H3.
What are the key properties of 6-(azetidin-1-yl)-3-iodo-2-methylpyridine?
6-(azetidin-1-yl)-3-iodo-2-methylpyridine has a molecular weight of 274.11 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-3-iodo-2-methylpyridine is sourced from PubChem (CID 176729989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).