ethane;1-(6-methoxy-3-pyridinyl)ethanone

C10H15NO2 — CID 142833845

IUPACethane;1-(6-methoxy-3-pyridinyl)ethanone
SMILESCC.COc1ccc(C(C)=O)cn1
InChIInChI=1S/C8H9NO2.C2H6/c1-6(10)7-3-4-8(11-2)9-5-7;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNDGQFEXPMOGENP-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.32
Rot. Bonds2

About ethane;1-(6-methoxy-3-pyridinyl)ethanone

ethane;1-(6-methoxy-3-pyridinyl)ethanone (PubChem CID 142833845) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;1-(6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Nameethane;1-(6-methoxy-3-pyridinyl)ethanone
PubChem CID142833845
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;1-(6-methoxy-3-pyridinyl)ethanone
SMILESCC.COc1ccc(C(C)=O)cn1
InChIInChI=1S/C8H9NO2.C2H6/c1-6(10)7-3-4-8(11-2)9-5-7;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNDGQFEXPMOGENP-UHFFFAOYSA-N
XLogP2.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-[6-(2-fluoroethoxy)-3-pyridinyl]ethanone
CID 58629025
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
CID 143530827
1-(6-pyridin-2-yloxy-3-pyridinyl)ethanone
CID 58109878
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
CID 130594890
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of ethane;1-(6-methoxy-3-pyridinyl)ethanone (CID 142833845) is ethane;1-(6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for ethane;1-(6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for ethane;1-(6-methoxy-3-pyridinyl)ethanone is CC.COc1ccc(C(C)=O)cn1.
What is the InChIKey of ethane;1-(6-methoxy-3-pyridinyl)ethanone?
The InChIKey is NDGQFEXPMOGENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-6(10)7-3-4-8(11-2)9-5-7;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;1-(6-methoxy-3-pyridinyl)ethanone?
ethane;1-(6-methoxy-3-pyridinyl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 142833845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).