(2-methoxy-5-methyl-3-pyridinyl) acetate

C9H11NO3 — CID 134133469

IUPAC(2-methoxy-5-methyl-3-pyridinyl) acetate
SMILESCOc1ncc(C)cc1OC(C)=O
InChIInChI=1S/C9H11NO3/c1-6-4-8(13-7(2)11)9(12-3)10-5-6/h4-5H,1-3H3
InChIKeyDREUHCIZSCJTOZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.32
Rot. Bonds2

About (2-methoxy-5-methyl-3-pyridinyl) acetate

(2-methoxy-5-methyl-3-pyridinyl) acetate (PubChem CID 134133469) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2-methoxy-5-methyl-3-pyridinyl) acetate.

Molecular Properties

Compound Name(2-methoxy-5-methyl-3-pyridinyl) acetate
PubChem CID134133469
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2-methoxy-5-methyl-3-pyridinyl) acetate
SMILESCOc1ncc(C)cc1OC(C)=O
InChIInChI=1S/C9H11NO3/c1-6-4-8(13-7(2)11)9(12-3)10-5-6/h4-5H,1-3H3
InChIKeyDREUHCIZSCJTOZ-UHFFFAOYSA-N
XLogP1.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridyl acetate
CID 87289
TC-2559
CID 9823180
3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44318995
3-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44319012
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-trifluoromethyl-pyridine
CID 21309637
2,3-Dimethoxypyridine
CID 4657809
2-(Acetoxymethyl)-3-acetoxypyridine
CID 256400
N-ethyl-2-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 11679984
3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 25147555
N-[(5-methoxy-3-pyridinyl)methyl]-N-methylethanamine
CID 44302805
N,N-dimethyl-2-[[5-(trifluoromethyl)-3-pyridinyl]oxy]ethanamine
CID 44340698
3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54582508

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-3-pyridinyl) acetate?
The IUPAC name of (2-methoxy-5-methyl-3-pyridinyl) acetate (CID 134133469) is (2-methoxy-5-methyl-3-pyridinyl) acetate.
What is the SMILES notation for (2-methoxy-5-methyl-3-pyridinyl) acetate?
The canonical SMILES for (2-methoxy-5-methyl-3-pyridinyl) acetate is COc1ncc(C)cc1OC(C)=O.
What is the InChIKey of (2-methoxy-5-methyl-3-pyridinyl) acetate?
The InChIKey is DREUHCIZSCJTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-4-8(13-7(2)11)9(12-3)10-5-6/h4-5H,1-3H3.
What are the key properties of (2-methoxy-5-methyl-3-pyridinyl) acetate?
(2-methoxy-5-methyl-3-pyridinyl) acetate has a molecular weight of 181.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-3-pyridinyl) acetate is sourced from PubChem (CID 134133469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).