ethane;4-ethoxy-3-methylpyridine

C10H17NO — CID 177233068

IUPACethane;4-ethoxy-3-methylpyridine
SMILESCC.CCOc1ccncc1C
InChIInChI=1S/C8H11NO.C2H6/c1-3-10-8-4-5-9-6-7(8)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeySJBFQLTWOHKNFG-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.81
Rot. Bonds2

About ethane;4-ethoxy-3-methylpyridine

ethane;4-ethoxy-3-methylpyridine (PubChem CID 177233068) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;4-ethoxy-3-methylpyridine.

Molecular Properties

Compound Nameethane;4-ethoxy-3-methylpyridine
PubChem CID177233068
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;4-ethoxy-3-methylpyridine
SMILESCC.CCOc1ccncc1C
InChIInChI=1S/C8H11NO.C2H6/c1-3-10-8-4-5-9-6-7(8)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeySJBFQLTWOHKNFG-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-3-methylpyridine?
The IUPAC name of ethane;4-ethoxy-3-methylpyridine (CID 177233068) is ethane;4-ethoxy-3-methylpyridine.
What is the SMILES notation for ethane;4-ethoxy-3-methylpyridine?
The canonical SMILES for ethane;4-ethoxy-3-methylpyridine is CC.CCOc1ccncc1C.
What is the InChIKey of ethane;4-ethoxy-3-methylpyridine?
The InChIKey is SJBFQLTWOHKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-3-10-8-4-5-9-6-7(8)2;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethoxy-3-methylpyridine?
ethane;4-ethoxy-3-methylpyridine has a molecular weight of 167.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-3-methylpyridine is sourced from PubChem (CID 177233068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).