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2-Amino-3-(2,3,6-trifluorobenzyloxy)pyridine

HCID 20076969
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ncccc1OCc1c(F)ccc(F)c1F
InChIKey
BCQIHJQUPGCSRE-UHFFFAOYSA-N
Molecular formula
C12H9F3N2O
Average molar mass
254.21 g/mol

Names & identifiers

Preferred name
2-Amino-3-(2,3,6-trifluorobenzyloxy)pyridine
IUPAC
3-[(2,3,6-trifluorophenyl)methoxy]pyridin-2-amine

Names & synonyms

SCHEMBL9123661BCQIHJQUPGCSRE-UHFFFAOYSA-N2-Amino-3-(2,3,6-trifluorobenzyloxy)pyridine

Database identifiers

PubChem CID
20076969

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
48.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
270

Related reactions

4 records
New reaction record
HRID 192691 reaction equation
HRID 192691As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1654913 reaction equation
HRID 1654913As productuspto-grants-1995_04
HRID 1654914 reaction equation
HRID 1654914As reactantuspto-grants-1995_04
HRID 2337552 reaction equation
HRID 2337552As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes