ethane;4-methoxy-2,3,5-trimethylpyridine

C11H19NO — CID 143004126

IUPACethane;4-methoxy-2,3,5-trimethylpyridine
SMILESCC.COc1c(C)cnc(C)c1C
InChIInChI=1S/C9H13NO.C2H6/c1-6-5-10-8(3)7(2)9(6)11-4;1-2/h5H,1-4H3;1-2H3
InChIKeyHQABUHZDZKBWTD-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.04
Rot. Bonds1

About ethane;4-methoxy-2,3,5-trimethylpyridine

ethane;4-methoxy-2,3,5-trimethylpyridine (PubChem CID 143004126) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;4-methoxy-2,3,5-trimethylpyridine.

Molecular Properties

Compound Nameethane;4-methoxy-2,3,5-trimethylpyridine
PubChem CID143004126
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;4-methoxy-2,3,5-trimethylpyridine
SMILESCC.COc1c(C)cnc(C)c1C
InChIInChI=1S/C9H13NO.C2H6/c1-6-5-10-8(3)7(2)9(6)11-4;1-2/h5H,1-4H3;1-2H3
InChIKeyHQABUHZDZKBWTD-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-5,6-dimethylpyridin-3-ol
CID 15163512
4-methoxy-2,3-dimethyl-5-propan-2-ylpyridine
CID 176811168
4-methoxy-5,6-dimethylpyridine-3-carbonitrile
CID 163496494
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 142637848
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
3-methoxy-N,2,5-trimethylpyridin-4-amine
CID 143996352
2-bromo-3,4-dimethoxy-5-methylpyridine
CID 174523781
2,3,4,5-tetramethylpyridine;hydrate
CID 175106370
4-[1-(2-methoxyethoxy)ethoxy]-2,3,5-trimethylpyridine
CID 173402269
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol
CID 10658970
4-bromo-2,3,5-trimethylpyridine
CID 58742154
molecular hydrogen;2,3,4,5-tetramethylpyridine
CID 174963511

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2,3,5-trimethylpyridine?
The IUPAC name of ethane;4-methoxy-2,3,5-trimethylpyridine (CID 143004126) is ethane;4-methoxy-2,3,5-trimethylpyridine.
What is the SMILES notation for ethane;4-methoxy-2,3,5-trimethylpyridine?
The canonical SMILES for ethane;4-methoxy-2,3,5-trimethylpyridine is CC.COc1c(C)cnc(C)c1C.
What is the InChIKey of ethane;4-methoxy-2,3,5-trimethylpyridine?
The InChIKey is HQABUHZDZKBWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-6-5-10-8(3)7(2)9(6)11-4;1-2/h5H,1-4H3;1-2H3.
What are the key properties of ethane;4-methoxy-2,3,5-trimethylpyridine?
ethane;4-methoxy-2,3,5-trimethylpyridine has a molecular weight of 181.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2,3,5-trimethylpyridine is sourced from PubChem (CID 143004126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).