ethane;4-methoxy-3-propylpyridine

C11H19NO — CID 176962232

IUPACethane;4-methoxy-3-propylpyridine
SMILESCC.CCCc1cnccc1OC
InChIInChI=1S/C9H13NO.C2H6/c1-3-4-8-7-10-6-5-9(8)11-2;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyWTDBKYILIYJUQJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.07
Rot. Bonds3

About ethane;4-methoxy-3-propylpyridine

ethane;4-methoxy-3-propylpyridine (PubChem CID 176962232) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;4-methoxy-3-propylpyridine.

Molecular Properties

Compound Nameethane;4-methoxy-3-propylpyridine
PubChem CID176962232
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;4-methoxy-3-propylpyridine
SMILESCC.CCCc1cnccc1OC
InChIInChI=1S/C9H13NO.C2H6/c1-3-4-8-7-10-6-5-9(8)11-2;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyWTDBKYILIYJUQJ-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(iodomethyl)-4-methoxypyridine
CID 130559780
3-methoxy-4-pentylpyridine
CID 170214218
3-ethoxy-4-propylpyridine
CID 176934400
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
3-pentyl-4-propan-2-yloxypyridine
CID 54537415
3-but-1-ynyl-4-methoxypyridine;ethane
CID 177208734
4-(2,2-dimethylpropyl)-3-methoxypyridine
CID 59574628
4-methoxypyridine-3-thiolate
CID 156636966
3,4-diethylpyridine;ethane
CID 90914060
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
CID 81235555

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-3-propylpyridine?
The IUPAC name of ethane;4-methoxy-3-propylpyridine (CID 176962232) is ethane;4-methoxy-3-propylpyridine.
What is the SMILES notation for ethane;4-methoxy-3-propylpyridine?
The canonical SMILES for ethane;4-methoxy-3-propylpyridine is CC.CCCc1cnccc1OC.
What is the InChIKey of ethane;4-methoxy-3-propylpyridine?
The InChIKey is WTDBKYILIYJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-4-8-7-10-6-5-9(8)11-2;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-3-propylpyridine?
ethane;4-methoxy-3-propylpyridine has a molecular weight of 181.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-3-propylpyridine is sourced from PubChem (CID 176962232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).