ethane;2-ethyl-3-methoxypyridine

C10H17NO — CID 144504427

IUPACethane;2-ethyl-3-methoxypyridine
SMILESCC.CCc1ncccc1OC
InChIInChI=1S/C8H11NO.C2H6/c1-3-7-8(10-2)5-4-6-9-7;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyJCNMANDBCWFEHB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.68
Rot. Bonds2

About ethane;2-ethyl-3-methoxypyridine

ethane;2-ethyl-3-methoxypyridine (PubChem CID 144504427) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;2-ethyl-3-methoxypyridine.

Molecular Properties

Compound Nameethane;2-ethyl-3-methoxypyridine
PubChem CID144504427
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;2-ethyl-3-methoxypyridine
SMILESCC.CCc1ncccc1OC
InChIInChI=1S/C8H11NO.C2H6/c1-3-7-8(10-2)5-4-6-9-7;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyJCNMANDBCWFEHB-UHFFFAOYSA-N
XLogP2.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-methoxypyridine?
The IUPAC name of ethane;2-ethyl-3-methoxypyridine (CID 144504427) is ethane;2-ethyl-3-methoxypyridine.
What is the SMILES notation for ethane;2-ethyl-3-methoxypyridine?
The canonical SMILES for ethane;2-ethyl-3-methoxypyridine is CC.CCc1ncccc1OC.
What is the InChIKey of ethane;2-ethyl-3-methoxypyridine?
The InChIKey is JCNMANDBCWFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-3-7-8(10-2)5-4-6-9-7;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methoxypyridine?
ethane;2-ethyl-3-methoxypyridine has a molecular weight of 167.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methoxypyridine is sourced from PubChem (CID 144504427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).