5-butoxy-2-methylpyridine

C10H15NO — CID 13154052

IUPAC5-butoxy-2-methylpyridine
SMILESCCCCOc1ccc(C)nc1
InChIInChI=1S/C10H15NO/c1-3-4-7-12-10-6-5-9(2)11-8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyRLFSZUPYKRYPTQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.57
Rot. Bonds4

About 5-butoxy-2-methylpyridine

5-butoxy-2-methylpyridine (PubChem CID 13154052) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-butoxy-2-methylpyridine.

Molecular Properties

Compound Name5-butoxy-2-methylpyridine
PubChem CID13154052
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-butoxy-2-methylpyridine
SMILESCCCCOc1ccc(C)nc1
InChIInChI=1S/C10H15NO/c1-3-4-7-12-10-6-5-9(2)11-8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyRLFSZUPYKRYPTQ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-2-methylpyridine
CID 573198
2-bromo-5-butoxypyridine
CID 87199523
(6-methyl-3-pyridinyl) 4-pentoxybenzoate
CID 4299217
5-but-3-ynoxy-2-methylpyridine
CID 130668166
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
CID 67874804
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
5-octoxypyridin-2-amine
CID 43126983
2-fluoro-5-hexoxypyridine
CID 115371648
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-methylpyridine?
The IUPAC name of 5-butoxy-2-methylpyridine (CID 13154052) is 5-butoxy-2-methylpyridine.
What is the SMILES notation for 5-butoxy-2-methylpyridine?
The canonical SMILES for 5-butoxy-2-methylpyridine is CCCCOc1ccc(C)nc1.
What is the InChIKey of 5-butoxy-2-methylpyridine?
The InChIKey is RLFSZUPYKRYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-7-12-10-6-5-9(2)11-8-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-butoxy-2-methylpyridine?
5-butoxy-2-methylpyridine has a molecular weight of 165.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-methylpyridine is sourced from PubChem (CID 13154052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).