4-[(4-iodophenyl)methyl]pyridine

C12H10IN — CID 14743030

IUPAC4-[(4-iodophenyl)methyl]pyridine
SMILESIc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C12H10IN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2
InChIKeyHKUYVVUKPTYHGV-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.28
Rot. Bonds2

About 4-[(4-iodophenyl)methyl]pyridine

4-[(4-iodophenyl)methyl]pyridine (PubChem CID 14743030) has the molecular formula C12H10IN and a molecular weight of 295.12 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-iodophenyl)methyl]pyridine
PubChem CID14743030
Molecular FormulaC12H10IN
Molecular Weight295.12 g/mol
Exact Mass294.99
IUPAC Name4-[(4-iodophenyl)methyl]pyridine
SMILESIc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C12H10IN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2
InChIKeyHKUYVVUKPTYHGV-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.28
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 4-[(4-iodophenyl)methyl]pyridine?
The IUPAC name of 4-[(4-iodophenyl)methyl]pyridine (CID 14743030) is 4-[(4-iodophenyl)methyl]pyridine.
What is the SMILES notation for 4-[(4-iodophenyl)methyl]pyridine?
The canonical SMILES for 4-[(4-iodophenyl)methyl]pyridine is Ic1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)methyl]pyridine?
The InChIKey is HKUYVVUKPTYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2.
What are the key properties of 4-[(4-iodophenyl)methyl]pyridine?
4-[(4-iodophenyl)methyl]pyridine has a molecular weight of 295.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methyl]pyridine is sourced from PubChem (CID 14743030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).