5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine

C24H23N3 — CID 159579778

IUPAC5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
SMILESCc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccncc2)nc1
InChIInChI=1S/C13H13N.C11H10N2/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-2-3-11(13-8-9)10-4-6-12-7-5-10/h3-9H,1-2H3;2-8H,1H3
InChIKeyMIWDGIFJCZCADD-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.82
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine

5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine (PubChem CID 159579778) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
PubChem CID159579778
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
SMILESCc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccncc2)nc1
InChIInChI=1S/C13H13N.C11H10N2/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-2-3-11(13-8-9)10-4-6-12-7-5-10/h3-9H,1-2H3;2-8H,1H3
InChIKeyMIWDGIFJCZCADD-UHFFFAOYSA-N
XLogP5.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine (CID 159579778) is 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine is Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccncc2)nc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine?
The InChIKey is MIWDGIFJCZCADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C11H10N2/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-2-3-11(13-8-9)10-4-6-12-7-5-10/h3-9H,1-2H3;2-8H,1H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine?
5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine has a molecular weight of 353.47 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine is sourced from PubChem (CID 159579778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).