1-(4-methoxy-3-methyl-2-pyridinyl)ethanone

C9H11NO2 — CID 84652084

IUPAC1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
SMILESCOc1ccnc(C(C)=O)c1C
InChIInChI=1S/C9H11NO2/c1-6-8(12-3)4-5-10-9(6)7(2)11/h4-5H,1-3H3
InChIKeyRFQGRCBUUKIIRA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.60
Rot. Bonds2

About 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone

1-(4-methoxy-3-methyl-2-pyridinyl)ethanone (PubChem CID 84652084) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
PubChem CID84652084
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
SMILESCOc1ccnc(C(C)=O)c1C
InChIInChI=1S/C9H11NO2/c1-6-8(12-3)4-5-10-9(6)7(2)11/h4-5H,1-3H3
InChIKeyRFQGRCBUUKIIRA-UHFFFAOYSA-N
XLogP1.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009
S-[(4-methoxy-3-methyl-2-pyridinyl)methyl] ethanethioate
CID 22151433
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 142637848
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
methyl 3-amino-4-methoxypyridine-2-carboxylate
CID 146485180
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
3-cyano-4-methoxypyridine-2-carboxylic acid
CID 130966526
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid
CID 170343077

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone (CID 84652084) is 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone is COc1ccnc(C(C)=O)c1C.
What is the InChIKey of 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The InChIKey is RFQGRCBUUKIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-8(12-3)4-5-10-9(6)7(2)11/h4-5H,1-3H3.
What are the key properties of 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone has a molecular weight of 165.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 84652084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).