3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine

C17H15N3 — CID 101109950

IUPAC3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine
SMILESCc1ccc(-c2ccc(C)c(-c3ccccn3)n2)nc1
InChIInChI=1S/C17H15N3/c1-12-6-8-14(19-11-12)15-9-7-13(2)17(20-15)16-5-3-4-10-18-16/h3-11H,1-2H3
InChIKeyLBHLNMHHFYIQQV-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.82
Rot. Bonds2

About 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine

3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine (PubChem CID 101109950) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine
PubChem CID101109950
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine
SMILESCc1ccc(-c2ccc(C)c(-c3ccccn3)n2)nc1
InChIInChI=1S/C17H15N3/c1-12-6-8-14(19-11-12)15-9-7-13(2)17(20-15)16-5-3-4-10-18-16/h3-11H,1-2H3
InChIKeyLBHLNMHHFYIQQV-UHFFFAOYSA-N
XLogP3.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine?
The IUPAC name of 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine (CID 101109950) is 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine is Cc1ccc(-c2ccc(C)c(-c3ccccn3)n2)nc1.
What is the InChIKey of 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine?
The InChIKey is LBHLNMHHFYIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12-6-8-14(19-11-12)15-9-7-13(2)17(20-15)16-5-3-4-10-18-16/h3-11H,1-2H3.
What are the key properties of 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine?
3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine has a molecular weight of 261.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 101109950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).