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2-(5-(trifluoromethyl)-1H-indazol-3-ylamino)acetic acid

HCID 21991187
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CNc1n[nH]c2ccc(C(F)(F)F)cc12
InChIKey
CSXMXKZNZRGAKY-UHFFFAOYSA-N
Molecular formula
C10H8F3N3O2
Average molar mass
259.18 g/mol

Names & identifiers

Preferred name
2-(5-(trifluoromethyl)-1H-indazol-3-ylamino)acetic acid
IUPAC
2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetic acid

Names & synonyms

2-(5-(trifluoromethyl)-1H-indazol-3-ylamino)acetic acidSCHEMBL1361086{[5-(trifluoromethyl)-1h-indazol-3-yl]amino}acetic acid

Database identifiers

PubChem CID
21991187

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
78 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
324

Related reactions

4 records
New reaction record
HRID 196473 reaction equation
HRID 196473As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 689259 reaction equation
HRID 689259As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2089243 reaction equation
HRID 2089243As productuspto-grants-2013_05
HRID 2225209 reaction equation
HRID 2225209As productuspto-grants-2008_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes