2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine

C22H17N3 — CID 20787103

IUPAC2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1
InChIInChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-12-14-24-22(15-18)21-7-4-6-20(25-21)19-5-2-3-13-23-19/h2-15H,1H3
InChIKeyGOEOSUFYVBKMTO-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.18
Rot. Bonds3

About 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine

2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 20787103) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
PubChem CID20787103
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1
InChIInChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-12-14-24-22(15-18)21-7-4-6-20(25-21)19-5-2-3-13-23-19/h2-15H,1H3
InChIKeyGOEOSUFYVBKMTO-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 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 20787103) is 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine is Cc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The InChIKey is GOEOSUFYVBKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-12-14-24-22(15-18)21-7-4-6-20(25-21)19-5-2-3-13-23-19/h2-15H,1H3.
What are the key properties of 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-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 2-[4-(4-methylphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 20787103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).