2-(4-methoxybutan-2-yl)pyridine

C10H15NO — CID 89294346

IUPAC2-(4-methoxybutan-2-yl)pyridine
SMILESCOCCC(C)c1ccccn1
InChIInChI=1S/C10H15NO/c1-9(6-8-12-2)10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeyDBEFIGQUOVREPQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.22
Rot. Bonds4

About 2-(4-methoxybutan-2-yl)pyridine

2-(4-methoxybutan-2-yl)pyridine (PubChem CID 89294346) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-methoxybutan-2-yl)pyridine
PubChem CID89294346
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(4-methoxybutan-2-yl)pyridine
SMILESCOCCC(C)c1ccccn1
InChIInChI=1S/C10H15NO/c1-9(6-8-12-2)10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeyDBEFIGQUOVREPQ-UHFFFAOYSA-N
XLogP2.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-yl)pyridine?
The IUPAC name of 2-(4-methoxybutan-2-yl)pyridine (CID 89294346) is 2-(4-methoxybutan-2-yl)pyridine.
What is the SMILES notation for 2-(4-methoxybutan-2-yl)pyridine?
The canonical SMILES for 2-(4-methoxybutan-2-yl)pyridine is COCCC(C)c1ccccn1.
What is the InChIKey of 2-(4-methoxybutan-2-yl)pyridine?
The InChIKey is DBEFIGQUOVREPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(6-8-12-2)10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 2-(4-methoxybutan-2-yl)pyridine?
2-(4-methoxybutan-2-yl)pyridine has a molecular weight of 165.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-yl)pyridine is sourced from PubChem (CID 89294346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).