4-methylpyridine;4-pyridin-4-ylpyridine

C16H15N3 — CID 118057744

IUPAC4-methylpyridine;4-pyridin-4-ylpyridine
SMILESCc1ccncc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C6H7N/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-6-2-4-7-5-3-6/h1-8H;2-5H,1H3
InChIKeyKLOGJGDOFWHGKA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.53
Rot. Bonds1

About 4-methylpyridine;4-pyridin-4-ylpyridine

4-methylpyridine;4-pyridin-4-ylpyridine (PubChem CID 118057744) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-methylpyridine;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-methylpyridine;4-pyridin-4-ylpyridine
PubChem CID118057744
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-methylpyridine;4-pyridin-4-ylpyridine
SMILESCc1ccncc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C6H7N/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-6-2-4-7-5-3-6/h1-8H;2-5H,1H3
InChIKeyKLOGJGDOFWHGKA-UHFFFAOYSA-N
XLogP3.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine;4-pyridin-4-ylpyridine?
The IUPAC name of 4-methylpyridine;4-pyridin-4-ylpyridine (CID 118057744) is 4-methylpyridine;4-pyridin-4-ylpyridine.
What is the SMILES notation for 4-methylpyridine;4-pyridin-4-ylpyridine?
The canonical SMILES for 4-methylpyridine;4-pyridin-4-ylpyridine is Cc1ccncc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-methylpyridine;4-pyridin-4-ylpyridine?
The InChIKey is KLOGJGDOFWHGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C6H7N/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-6-2-4-7-5-3-6/h1-8H;2-5H,1H3.
What are the key properties of 4-methylpyridine;4-pyridin-4-ylpyridine?
4-methylpyridine;4-pyridin-4-ylpyridine has a molecular weight of 249.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine;4-pyridin-4-ylpyridine is sourced from PubChem (CID 118057744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).