5-hexyl-2-methylpyridine

C12H19N — CID 522401

IUPAC5-hexyl-2-methylpyridine
SMILESCCCCCCc1ccc(C)nc1
InChIInChI=1S/C12H19N/c1-3-4-5-6-7-12-9-8-11(2)13-10-12/h8-10H,3-7H2,1-2H3
InChIKeyCVQOAKGVDNOWHA-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.51
Rot. Bonds5

About 5-hexyl-2-methylpyridine

5-hexyl-2-methylpyridine (PubChem CID 522401) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-hexyl-2-methylpyridine.

Molecular Properties

Compound Name5-hexyl-2-methylpyridine
PubChem CID522401
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-hexyl-2-methylpyridine
SMILESCCCCCCc1ccc(C)nc1
InChIInChI=1S/C12H19N/c1-3-4-5-6-7-12-9-8-11(2)13-10-12/h8-10H,3-7H2,1-2H3
InChIKeyCVQOAKGVDNOWHA-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-methylpyridine?
The IUPAC name of 5-hexyl-2-methylpyridine (CID 522401) is 5-hexyl-2-methylpyridine.
What is the SMILES notation for 5-hexyl-2-methylpyridine?
The canonical SMILES for 5-hexyl-2-methylpyridine is CCCCCCc1ccc(C)nc1.
What is the InChIKey of 5-hexyl-2-methylpyridine?
The InChIKey is CVQOAKGVDNOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-5-6-7-12-9-8-11(2)13-10-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-hexyl-2-methylpyridine?
5-hexyl-2-methylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-methylpyridine is sourced from PubChem (CID 522401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).