2-ethynyl-3-iodopyridine

C7H4IN — CID 11310749

IUPAC2-ethynyl-3-iodopyridine
SMILESC#Cc1ncccc1I
InChIInChI=1S/C7H4IN/c1-2-7-6(8)4-3-5-9-7/h1,3-5H
InChIKeyHGRLZUZGSQIRGZ-UHFFFAOYSA-N
MW229.02 g/mol
LogP1.67
Rot. Bonds

About 2-ethynyl-3-iodopyridine

2-ethynyl-3-iodopyridine (PubChem CID 11310749) has the molecular formula C7H4IN and a molecular weight of 229.02 g/mol. Its IUPAC name is 2-ethynyl-3-iodopyridine.

Molecular Properties

Compound Name2-ethynyl-3-iodopyridine
PubChem CID11310749
Molecular FormulaC7H4IN
Molecular Weight229.02 g/mol
Exact Mass228.94
IUPAC Name2-ethynyl-3-iodopyridine
SMILESC#Cc1ncccc1I
InChIInChI=1S/C7H4IN/c1-2-7-6(8)4-3-5-9-7/h1,3-5H
InChIKeyHGRLZUZGSQIRGZ-UHFFFAOYSA-N
XLogP1.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-3-iodopyridine?
The IUPAC name of 2-ethynyl-3-iodopyridine (CID 11310749) is 2-ethynyl-3-iodopyridine.
What is the SMILES notation for 2-ethynyl-3-iodopyridine?
The canonical SMILES for 2-ethynyl-3-iodopyridine is C#Cc1ncccc1I.
What is the InChIKey of 2-ethynyl-3-iodopyridine?
The InChIKey is HGRLZUZGSQIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN/c1-2-7-6(8)4-3-5-9-7/h1,3-5H.
What are the key properties of 2-ethynyl-3-iodopyridine?
2-ethynyl-3-iodopyridine has a molecular weight of 229.02 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-3-iodopyridine is sourced from PubChem (CID 11310749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).