2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine

C16H13N3 — CID 66821845

IUPAC2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
SMILESCc1ccnc(-c2cccc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H13N3/c1-12-8-10-18-16(11-12)15-7-4-6-14(19-15)13-5-2-3-9-17-13/h2-11H,1H3
InChIKeyBOAJWVHGDVCXJY-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.51
Rot. Bonds2

About 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine

2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine (PubChem CID 66821845) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
PubChem CID66821845
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
SMILESCc1ccnc(-c2cccc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H13N3/c1-12-8-10-18-16(11-12)15-7-4-6-14(19-15)13-5-2-3-9-17-13/h2-11H,1H3
InChIKeyBOAJWVHGDVCXJY-UHFFFAOYSA-N
XLogP3.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine (CID 66821845) is 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine is Cc1ccnc(-c2cccc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The InChIKey is BOAJWVHGDVCXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-12-8-10-18-16(11-12)15-7-4-6-14(19-15)13-5-2-3-9-17-13/h2-11H,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine has a molecular weight of 247.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 66821845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).