3-Bromo-2-methoxy-4,6-dimethylpyridine

HCID 86686331

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1nc(C)cc(C)c1Br
InChIKey: KWGMYFISCBHTLS-UHFFFAOYSA-N
Molecular formula: C8H10BrNO
Average molar mass: 216.07 g/mol

Names & identifiers

Preferred name: 3-Bromo-2-methoxy-4,6-dimethylpyridine
IUPAC: 3-bromo-2-methoxy-4,6-dimethylpyridine

Names & synonyms

3-bromo-2-methoxy-4,6-dimethylpyridineSCHEMBL14853022KWGMYFISCBHTLS-UHFFFAOYSA-N1429510-59-7DB-122592

Database identifiers

PubChem CID: 86686331

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 131

Related reactions

7 records

New reaction record

HRID 812101As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 946845As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1043896As productuspto-grants-2013_10

HRID 1043936As reactantuspto-grants-2013_10

HRID 1043962As reactantuspto-grants-2013_10

HRID 1043967As reactantuspto-grants-2013_10

HRID 2150615As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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