3-ethyl-5-methylpyridine

C8H11N — CID 19901

IUPAC3-ethyl-5-methylpyridine
SMILESCCc1cncc(C)c1
InChIInChI=1S/C8H11N/c1-3-8-4-7(2)5-9-6-8/h4-6H,3H2,1-2H3
InChIKeyXTLUAAHBKVFNPF-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.95
Rot. Bonds1

About 3-ethyl-5-methylpyridine

3-ethyl-5-methylpyridine (PubChem CID 19901) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-ethyl-5-methylpyridine.

Molecular Properties

Compound Name3-ethyl-5-methylpyridine
PubChem CID19901
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-ethyl-5-methylpyridine
SMILESCCc1cncc(C)c1
InChIInChI=1S/C8H11N/c1-3-8-4-7(2)5-9-6-8/h4-6H,3H2,1-2H3
InChIKeyXTLUAAHBKVFNPF-UHFFFAOYSA-N
XLogP1.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylpyridine?
The IUPAC name of 3-ethyl-5-methylpyridine (CID 19901) is 3-ethyl-5-methylpyridine.
What is the SMILES notation for 3-ethyl-5-methylpyridine?
The canonical SMILES for 3-ethyl-5-methylpyridine is CCc1cncc(C)c1.
What is the InChIKey of 3-ethyl-5-methylpyridine?
The InChIKey is XTLUAAHBKVFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-4-7(2)5-9-6-8/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylpyridine?
3-ethyl-5-methylpyridine has a molecular weight of 121.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylpyridine is sourced from PubChem (CID 19901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).