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

HCID 86686352
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(OC(C)C)nc(C)c1Br
InChIKey
JEGCYTHXGVWNJY-UHFFFAOYSA-N
Molecular formula
C10H14BrNO
Average molar mass
244.13 g/mol
Monoisotopic mass
243.02588

Names & identifiers

Preferred name
3-Bromo-6-isopropyloxy-2,4-dimethylpyridine
IUPAC
3-bromo-2,4-dimethyl-6-propan-2-yloxypyridine

Names & synonyms

3-bromo-6-isopropyloxy-2,4-dimethylpyridineSCHEMBL14853212JEGCYTHXGVWNJY-UHFFFAOYSA-N1429510-89-3DB-122627

Database identifiers

PubChem CID
86686352

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
163

Related reactions

4 records
New reaction record
HRID 210297 reaction equation
HRID 210297As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 677977 reaction equation
HRID 677977As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1043928 reaction equation
HRID 1043928As productuspto-grants-2013_10
HRID 1043954 reaction equation
HRID 1043954As reactantuspto-grants-2013_10

Compound notes

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