3-butylpyridine

C9H13N — CID 10874

IUPAC3-butylpyridine
SMILESCCCCc1cccnc1
InChIInChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
InChIKeyQSNMFWFDOFQASV-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.42
Rot. Bonds3

About 3-butylpyridine

3-butylpyridine (PubChem CID 10874) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-butylpyridine.

Molecular Properties

Compound Name3-butylpyridine
PubChem CID10874
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-butylpyridine
SMILESCCCCc1cccnc1
InChIInChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
InChIKeyQSNMFWFDOFQASV-UHFFFAOYSA-N
XLogP2.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butylpyridine?
The IUPAC name of 3-butylpyridine (CID 10874) is 3-butylpyridine.
What is the SMILES notation for 3-butylpyridine?
The canonical SMILES for 3-butylpyridine is CCCCc1cccnc1.
What is the InChIKey of 3-butylpyridine?
The InChIKey is QSNMFWFDOFQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 3-butylpyridine?
3-butylpyridine has a molecular weight of 135.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpyridine is sourced from PubChem (CID 10874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).