2-ethoxy-3-methyl-5-propan-2-ylpyridine

C11H17NO — CID 130320628

IUPAC2-ethoxy-3-methyl-5-propan-2-ylpyridine
SMILESCCOc1ncc(C(C)C)cc1C
InChIInChI=1S/C11H17NO/c1-5-13-11-9(4)6-10(7-12-11)8(2)3/h6-8H,5H2,1-4H3
InChIKeyMCQBHGWSIQZUDZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds3

About 2-ethoxy-3-methyl-5-propan-2-ylpyridine

2-ethoxy-3-methyl-5-propan-2-ylpyridine (PubChem CID 130320628) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-5-propan-2-ylpyridine
PubChem CID130320628
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-ethoxy-3-methyl-5-propan-2-ylpyridine
SMILESCCOc1ncc(C(C)C)cc1C
InChIInChI=1S/C11H17NO/c1-5-13-11-9(4)6-10(7-12-11)8(2)3/h6-8H,5H2,1-4H3
InChIKeyMCQBHGWSIQZUDZ-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-5-propan-2-ylpyridine?
The IUPAC name of 2-ethoxy-3-methyl-5-propan-2-ylpyridine (CID 130320628) is 2-ethoxy-3-methyl-5-propan-2-ylpyridine.
What is the SMILES notation for 2-ethoxy-3-methyl-5-propan-2-ylpyridine?
The canonical SMILES for 2-ethoxy-3-methyl-5-propan-2-ylpyridine is CCOc1ncc(C(C)C)cc1C.
What is the InChIKey of 2-ethoxy-3-methyl-5-propan-2-ylpyridine?
The InChIKey is MCQBHGWSIQZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-13-11-9(4)6-10(7-12-11)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3-methyl-5-propan-2-ylpyridine?
2-ethoxy-3-methyl-5-propan-2-ylpyridine has a molecular weight of 179.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-5-propan-2-ylpyridine is sourced from PubChem (CID 130320628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).