3-(1-butylimidazol-4-yl)pyridine

C12H15N3 — CID 58668046

IUPAC3-(1-butylimidazol-4-yl)pyridine
SMILESCCCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C12H15N3/c1-2-3-7-15-9-12(14-10-15)11-5-4-6-13-8-11/h4-6,8-10H,2-3,7H2,1H3
InChIKeyXLKSQADVTLZBSL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.75
Rot. Bonds4

About 3-(1-butylimidazol-4-yl)pyridine

3-(1-butylimidazol-4-yl)pyridine (PubChem CID 58668046) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1-butylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(1-butylimidazol-4-yl)pyridine
PubChem CID58668046
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(1-butylimidazol-4-yl)pyridine
SMILESCCCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C12H15N3/c1-2-3-7-15-9-12(14-10-15)11-5-4-6-13-8-11/h4-6,8-10H,2-3,7H2,1H3
InChIKeyXLKSQADVTLZBSL-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butylimidazol-4-yl)pyridine?
The IUPAC name of 3-(1-butylimidazol-4-yl)pyridine (CID 58668046) is 3-(1-butylimidazol-4-yl)pyridine.
What is the SMILES notation for 3-(1-butylimidazol-4-yl)pyridine?
The canonical SMILES for 3-(1-butylimidazol-4-yl)pyridine is CCCCn1cnc(-c2cccnc2)c1.
What is the InChIKey of 3-(1-butylimidazol-4-yl)pyridine?
The InChIKey is XLKSQADVTLZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-3-7-15-9-12(14-10-15)11-5-4-6-13-8-11/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 3-(1-butylimidazol-4-yl)pyridine?
3-(1-butylimidazol-4-yl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylimidazol-4-yl)pyridine is sourced from PubChem (CID 58668046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).