butane;4-(3-methylphenyl)pyridine

C16H21N — CID 155692257

IUPACbutane;4-(3-methylphenyl)pyridine
SMILESCCCC.Cc1cccc(-c2ccncc2)c1
InChIInChI=1S/C12H11N.C4H10/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3
InChIKeyKDLZPWVQZKKWKQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.86
Rot. Bonds2

About butane;4-(3-methylphenyl)pyridine

butane;4-(3-methylphenyl)pyridine (PubChem CID 155692257) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is butane;4-(3-methylphenyl)pyridine.

Molecular Properties

Compound Namebutane;4-(3-methylphenyl)pyridine
PubChem CID155692257
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Namebutane;4-(3-methylphenyl)pyridine
SMILESCCCC.Cc1cccc(-c2ccncc2)c1
InChIInChI=1S/C12H11N.C4H10/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3
InChIKeyKDLZPWVQZKKWKQ-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;4-(3-methylphenyl)pyridine?
The IUPAC name of butane;4-(3-methylphenyl)pyridine (CID 155692257) is butane;4-(3-methylphenyl)pyridine.
What is the SMILES notation for butane;4-(3-methylphenyl)pyridine?
The canonical SMILES for butane;4-(3-methylphenyl)pyridine is CCCC.Cc1cccc(-c2ccncc2)c1.
What is the InChIKey of butane;4-(3-methylphenyl)pyridine?
The InChIKey is KDLZPWVQZKKWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C4H10/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3.
What are the key properties of butane;4-(3-methylphenyl)pyridine?
butane;4-(3-methylphenyl)pyridine has a molecular weight of 227.35 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-(3-methylphenyl)pyridine is sourced from PubChem (CID 155692257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).