butane;pyridine

C9H15N — CID 66630740

IUPACbutane;pyridine
SMILESCCCC.c1ccncc1
InChIInChI=1S/C5H5N.C4H10/c1-2-4-6-5-3-1;1-3-4-2/h1-5H;3-4H2,1-2H3
InChIKeyIWXUGBYHDGSXOO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.89
Rot. Bonds1

About butane;pyridine

butane;pyridine (PubChem CID 66630740) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is butane;pyridine.

Molecular Properties

Compound Namebutane;pyridine
PubChem CID66630740
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Namebutane;pyridine
SMILESCCCC.c1ccncc1
InChIInChI=1S/C5H5N.C4H10/c1-2-4-6-5-3-1;1-3-4-2/h1-5H;3-4H2,1-2H3
InChIKeyIWXUGBYHDGSXOO-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butane;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;pyridine?
The IUPAC name of butane;pyridine (CID 66630740) is butane;pyridine.
What is the SMILES notation for butane;pyridine?
The canonical SMILES for butane;pyridine is CCCC.c1ccncc1.
What is the InChIKey of butane;pyridine?
The InChIKey is IWXUGBYHDGSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H10/c1-2-4-6-5-3-1;1-3-4-2/h1-5H;3-4H2,1-2H3.
What are the key properties of butane;pyridine?
butane;pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;pyridine is sourced from PubChem (CID 66630740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).