2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine

C17H13IN2 — CID 101459024

IUPAC2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
SMILESCc1cc(-c2ccccn2)c(I)c(-c2ccccn2)c1
InChIInChI=1S/C17H13IN2/c1-12-10-13(15-6-2-4-8-19-15)17(18)14(11-12)16-7-3-5-9-20-16/h2-11H,1H3
InChIKeyPFVQIIXEDHPGEA-UHFFFAOYSA-N
MW372.21 g/mol
LogP4.72
Rot. Bonds2

About 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine

2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine (PubChem CID 101459024) has the molecular formula C17H13IN2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
PubChem CID101459024
Molecular FormulaC17H13IN2
Molecular Weight372.21 g/mol
Exact Mass372.01
IUPAC Name2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
SMILESCc1cc(-c2ccccn2)c(I)c(-c2ccccn2)c1
InChIInChI=1S/C17H13IN2/c1-12-10-13(15-6-2-4-8-19-15)17(18)14(11-12)16-7-3-5-9-20-16/h2-11H,1H3
InChIKeyPFVQIIXEDHPGEA-UHFFFAOYSA-N
XLogP4.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(3-methylanthracen-1-yl)pyridine
CID 169060480
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-(2-methylphenyl)pyridine
CID 144596153
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-[5-methyl-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 90050951
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
CID 158478788
CID 158478788

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine?
The IUPAC name of 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine (CID 101459024) is 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine.
What is the SMILES notation for 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine?
The canonical SMILES for 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine is Cc1cc(-c2ccccn2)c(I)c(-c2ccccn2)c1.
What is the InChIKey of 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine?
The InChIKey is PFVQIIXEDHPGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2/c1-12-10-13(15-6-2-4-8-19-15)17(18)14(11-12)16-7-3-5-9-20-16/h2-11H,1H3.
What are the key properties of 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine?
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine has a molecular weight of 372.21 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 101459024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).