1-(6-methoxy-3-pyridinyl)propan-2-one

C9H11NO2 — CID 19760371

IUPAC1-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(C)=O)cn1
InChIInChI=1S/C9H11NO2/c1-7(11)5-8-3-4-9(12-2)10-6-8/h3-4,6H,5H2,1-2H3
InChIKeyZTVKQIOWHQKSOC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.22
Rot. Bonds3

About 1-(6-methoxy-3-pyridinyl)propan-2-one

1-(6-methoxy-3-pyridinyl)propan-2-one (PubChem CID 19760371) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)propan-2-one
PubChem CID19760371
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(C)=O)cn1
InChIInChI=1S/C9H11NO2/c1-7(11)5-8-3-4-9(12-2)10-6-8/h3-4,6H,5H2,1-2H3
InChIKeyZTVKQIOWHQKSOC-UHFFFAOYSA-N
XLogP1.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
1-[(6-methoxy-3-pyridinyl)methoxy]propan-2-one
CID 129259580
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
CID 82920700
5-bromo-2-methoxypyridine;diiodovanadium;methane;1-(6-methoxy-3-pyridinyl)propan-2-one;prop-1-en-2-yl acetate
CID 161063741
1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171563
1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
CID 107896356
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
CID 123951100
1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 106680034
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)propan-2-one (CID 19760371) is 1-(6-methoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)propan-2-one is COc1ccc(CC(C)=O)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)propan-2-one?
The InChIKey is ZTVKQIOWHQKSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(11)5-8-3-4-9(12-2)10-6-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)propan-2-one?
1-(6-methoxy-3-pyridinyl)propan-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 19760371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).