1-(2,5,6-trimethoxy-3-pyridinyl)ethanone

C10H13NO4 — CID 71300170

IUPAC1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
SMILESCOc1cc(C(C)=O)c(OC)nc1OC
InChIInChI=1S/C10H13NO4/c1-6(12)7-5-8(13-2)10(15-4)11-9(7)14-3/h5H,1-4H3
InChIKeyONQIZTWXVHAPDZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.31
Rot. Bonds4

About 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone

1-(2,5,6-trimethoxy-3-pyridinyl)ethanone (PubChem CID 71300170) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
PubChem CID71300170
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
SMILESCOc1cc(C(C)=O)c(OC)nc1OC
InChIInChI=1S/C10H13NO4/c1-6(12)7-5-8(13-2)10(15-4)11-9(7)14-3/h5H,1-4H3
InChIKeyONQIZTWXVHAPDZ-UHFFFAOYSA-N
XLogP1.31
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
CID 71300148
5,6-dimethoxy-2-methylpyridine-3-carboxamide
CID 174786229
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
CID 174193299
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
CID 134818651

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone (CID 71300170) is 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone is COc1cc(C(C)=O)c(OC)nc1OC.
What is the InChIKey of 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone?
The InChIKey is ONQIZTWXVHAPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(12)7-5-8(13-2)10(15-4)11-9(7)14-3/h5H,1-4H3.
What are the key properties of 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone?
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone has a molecular weight of 211.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,6-trimethoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 71300170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).