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6-((6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinoline

HCID 67504253
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cc(Cl)cn2c(Cc3ccc4ncccc4c3)nnc12
InChIKey
SFRZBAVWWOITLX-UHFFFAOYSA-N
Molecular formula
C16H10ClFN4
Average molar mass
312.73 g/mol

Names & identifiers

Preferred name
6-((6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinoline
IUPAC
6-[(6-chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]quinoline

Names & synonyms

SCHEMBL2700733SFRZBAVWWOITLX-UHFFFAOYSA-NDB-1559226-((6-chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinoline6-[(6-Chloro-8-fluoro-1,2,4-triazolo[4,3-a]pyridin-3-yl)methyl]quinoline1151801-60-3

Database identifiers

PubChem CID
67504253

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
398

Related reactions

2 records
New reaction record
HRID 219223 reaction equation
HRID 219223As reactantuspto-grants-2012_06
HRID 2176628 reaction equation
HRID 2176628As reactantuspto-grants-2015_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes