Basic information
- CAS
1166831-69-1- Standard SMILES
O=C(O)c1nnn(-c2ccccc2F)c1-c1cccnc1- InChIKey
RHWJTNJRIMDUHN-UHFFFAOYSA-N- Molecular formula
- C14H9FN4O2
- Average molar mass
- 284.24 g/mol
- Monoisotopic mass
- 284.0709537
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-5-pyridin-3-yl-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-(2-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
Names & synonyms
1166831-69-11-(2-Fluorophenyl)-5-pyridin-3-yl-1H-1,2,3-triazole-4-carboxylic acid1-(2-fluorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid1-(2-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxylic acidstarbld0027052SCHEMBL3457178RHWJTNJRIMDUHN-UHFFFAOYSA-NDTXSID101153546MFCD20748240STL143140AKOS005740084NCGC00520127-01
Show more names
BS-11645DB-1108331-(2-fluorophenyl)-5-(3-pyridyl)triazole-4-carboxylic acid1-(2-Fluorophenyl)-5-(3-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid1-(2-fluorophenyl)-5-(3-pyridyl)-1H-1,2,3-triazole-4-carboxylic acid
Database identifiers
- CAS
1166831-69-1- PubChem CID
- 53193003
- DTXSID
DTXSID101153546
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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