2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine

C23H18N2 — CID 123620977

IUPAC2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
SMILESCc1cccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1
InChIInChI=1S/C23H18N2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24-22)16-21(15-19)23-10-3-5-12-25-23/h2-16H,1H3
InChIKeyRFGDELZXKVFBKU-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.79
Rot. Bonds3

About 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine

2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine (PubChem CID 123620977) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
PubChem CID123620977
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
SMILESCc1cccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1
InChIInChI=1S/C23H18N2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24-22)16-21(15-19)23-10-3-5-12-25-23/h2-16H,1H3
InChIKeyRFGDELZXKVFBKU-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine (CID 123620977) is 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine is Cc1cccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is RFGDELZXKVFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24-22)16-21(15-19)23-10-3-5-12-25-23/h2-16H,1H3.
What are the key properties of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 322.41 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 123620977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).