6-methylpyridine-2-carbonyl iodide

C7H6INO — CID 154552361

IUPAC6-methylpyridine-2-carbonyl iodide
SMILESCc1cccc(C(=O)I)n1
InChIInChI=1S/C7H6INO/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3
InChIKeyWOHTZEFVAIYCGP-UHFFFAOYSA-N
MW247.03 g/mol
LogP1.97
Rot. Bonds1

About 6-methylpyridine-2-carbonyl iodide

6-methylpyridine-2-carbonyl iodide (PubChem CID 154552361) has the molecular formula C7H6INO and a molecular weight of 247.03 g/mol. Its IUPAC name is 6-methylpyridine-2-carbonyl iodide.

Molecular Properties

Compound Name6-methylpyridine-2-carbonyl iodide
PubChem CID154552361
Molecular FormulaC7H6INO
Molecular Weight247.03 g/mol
Exact Mass246.95
IUPAC Name6-methylpyridine-2-carbonyl iodide
SMILESCc1cccc(C(=O)I)n1
InChIInChI=1S/C7H6INO/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3
InChIKeyWOHTZEFVAIYCGP-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridine-2-carbonyl iodide?
The IUPAC name of 6-methylpyridine-2-carbonyl iodide (CID 154552361) is 6-methylpyridine-2-carbonyl iodide.
What is the SMILES notation for 6-methylpyridine-2-carbonyl iodide?
The canonical SMILES for 6-methylpyridine-2-carbonyl iodide is Cc1cccc(C(=O)I)n1.
What is the InChIKey of 6-methylpyridine-2-carbonyl iodide?
The InChIKey is WOHTZEFVAIYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3.
What are the key properties of 6-methylpyridine-2-carbonyl iodide?
6-methylpyridine-2-carbonyl iodide has a molecular weight of 247.03 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-2-carbonyl iodide is sourced from PubChem (CID 154552361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).