3-iodo-1-methyl-2H-pyridine

C6H8IN — CID 121391421

IUPAC3-iodo-1-methyl-2H-pyridine
SMILESCN1C=CC=C(I)C1
InChIInChI=1S/C6H8IN/c1-8-4-2-3-6(7)5-8/h2-4H,5H2,1H3
InChIKeyXFUNIAPHDFYZGI-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.76
Rot. Bonds

About 3-iodo-1-methyl-2H-pyridine

3-iodo-1-methyl-2H-pyridine (PubChem CID 121391421) has the molecular formula C6H8IN and a molecular weight of 221.04 g/mol. Its IUPAC name is 3-iodo-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3-iodo-1-methyl-2H-pyridine
PubChem CID121391421
Molecular FormulaC6H8IN
Molecular Weight221.04 g/mol
Exact Mass220.97
IUPAC Name3-iodo-1-methyl-2H-pyridine
SMILESCN1C=CC=C(I)C1
InChIInChI=1S/C6H8IN/c1-8-4-2-3-6(7)5-8/h2-4H,5H2,1H3
InChIKeyXFUNIAPHDFYZGI-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-2H-pyridine?
The IUPAC name of 3-iodo-1-methyl-2H-pyridine (CID 121391421) is 3-iodo-1-methyl-2H-pyridine.
What is the SMILES notation for 3-iodo-1-methyl-2H-pyridine?
The canonical SMILES for 3-iodo-1-methyl-2H-pyridine is CN1C=CC=C(I)C1.
What is the InChIKey of 3-iodo-1-methyl-2H-pyridine?
The InChIKey is XFUNIAPHDFYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN/c1-8-4-2-3-6(7)5-8/h2-4H,5H2,1H3.
What are the key properties of 3-iodo-1-methyl-2H-pyridine?
3-iodo-1-methyl-2H-pyridine has a molecular weight of 221.04 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-2H-pyridine is sourced from PubChem (CID 121391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).