1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C10H13NO2 — CID 142637848

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(C(C)=O)c1C
InChIInChI=1S/C10H13NO2/c1-6-5-11-9(8(3)12)7(2)10(6)13-4/h5H,1-4H3
InChIKeyAXFFGOPSFNEQGJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 142637848) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID142637848
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(C(C)=O)c1C
InChIInChI=1S/C10H13NO2/c1-6-5-11-9(8(3)12)7(2)10(6)13-4/h5H,1-4H3
InChIKeyAXFFGOPSFNEQGJ-UHFFFAOYSA-N
XLogP1.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methoxy-2,3,5-trimethylpyridine
CID 143004126
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid
CID 154461378
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
ethyl (E)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)prop-2-enoate
CID 86653694
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 102802705
ethyl 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)but-3-enoate
CID 76739289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 142637848) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(C(C)=O)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is AXFFGOPSFNEQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-5-11-9(8(3)12)7(2)10(6)13-4/h5H,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 142637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).