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2-Methyl-3-[(prop-2-yn-1-yl)oxy]pyridine

HCID 53440948
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
69022-72-6
Standard SMILES
C#CCOc1cccnc1C
InChIKey
DPOQEVKDXHAFPC-UHFFFAOYSA-N
Molecular formula
C9H9NO
Average molar mass
147.17 g/mol
Monoisotopic mass
147.06841391

Names & identifiers

Preferred name
2-Methyl-3-[(prop-2-yn-1-yl)oxy]pyridine
IUPAC
2-methyl-3-prop-2-ynoxypyridine
English name
2-Methyl-3-(2-propynyloxy)pyridine
Molecular weight
0

Names & synonyms

2-Methyl-3-(prop-2-ynyloxy)pyridine69022-72-62-Methyl-3-[(prop-2-yn-1-yl)oxy]pyridineSCHEMBL3645477DTXSID80702934DPOQEVKDXHAFPC-UHFFFAOYSA-NDB-1929432-Methyl-3-(2-propynyloxy)pyridine

Database identifiers

CAS
69022-72-6
PubChem CID
53440948
DTXSID
DTXSID80702934
Nikkaji
J127.444I

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
158

Related reactions

5 records
New reaction record
HRID 80661 reaction equation
HRID 80661As productuspto-grants-2014_09
HRID 80662 reaction equation
HRID 80662As reactantuspto-grants-2014_09
HRID 1211342 reaction equation
HRID 1211342As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1928611 reaction equation
HRID 1928611As productuspto-grants-2012_05
HRID 1928612 reaction equation
HRID 1928612As reactantuspto-grants-2012_05

Compound notes

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