3-ethyl-2,5-dimethylpyridine

C9H13N — CID 528719

IUPAC3-ethyl-2,5-dimethylpyridine
SMILESCCc1cc(C)cnc1C
InChIInChI=1S/C9H13N/c1-4-9-5-7(2)6-10-8(9)3/h5-6H,4H2,1-3H3
InChIKeyPPSBKGGGGXWSAB-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.26
Rot. Bonds1

About 3-ethyl-2,5-dimethylpyridine

3-ethyl-2,5-dimethylpyridine (PubChem CID 528719) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethylpyridine.

Molecular Properties

Compound Name3-ethyl-2,5-dimethylpyridine
PubChem CID528719
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-ethyl-2,5-dimethylpyridine
SMILESCCc1cc(C)cnc1C
InChIInChI=1S/C9H13N/c1-4-9-5-7(2)6-10-8(9)3/h5-6H,4H2,1-3H3
InChIKeyPPSBKGGGGXWSAB-UHFFFAOYSA-N
XLogP2.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethylpyridine?
The IUPAC name of 3-ethyl-2,5-dimethylpyridine (CID 528719) is 3-ethyl-2,5-dimethylpyridine.
What is the SMILES notation for 3-ethyl-2,5-dimethylpyridine?
The canonical SMILES for 3-ethyl-2,5-dimethylpyridine is CCc1cc(C)cnc1C.
What is the InChIKey of 3-ethyl-2,5-dimethylpyridine?
The InChIKey is PPSBKGGGGXWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-9-5-7(2)6-10-8(9)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,5-dimethylpyridine?
3-ethyl-2,5-dimethylpyridine has a molecular weight of 135.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethylpyridine is sourced from PubChem (CID 528719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).