4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine

C22H17N3 — CID 22359756

IUPAC4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C22H17N3/c1-16-7-6-8-17(13-16)18-14-21(19-9-2-4-11-23-19)25-22(15-18)20-10-3-5-12-24-20/h2-15H,1H3
InChIKeyAVJJOABAVQVERO-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.18
Rot. Bonds3

About 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine

4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 22359756) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID22359756
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C22H17N3/c1-16-7-6-8-17(13-16)18-14-21(19-9-2-4-11-23-19)25-22(15-18)20-10-3-5-12-24-20/h2-15H,1H3
InChIKeyAVJJOABAVQVERO-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine (CID 22359756) is 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine is Cc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is AVJJOABAVQVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-7-6-8-17(13-16)18-14-21(19-9-2-4-11-23-19)25-22(15-18)20-10-3-5-12-24-20/h2-15H,1H3.
What are the key properties of 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine?
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 323.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 22359756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).