5-methoxy-1H-indazole-3-carbonitrile
Basic information
- CAS
90322-88-6- Standard SMILES
COc1ccc2[nH]nc(C#N)c2c1- InChIKey
XXCNXBQYSICCPC-UHFFFAOYSA-N- Molecular formula
- C9H7N3O
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.05891186
Names & identifiers
- Preferred name
- 5-methoxy-1H-indazole-3-carbonitrile
- IUPAC
- 5-methoxy-1H-indazole-3-carbonitrile
- English name
- 5-methoxy-1H-indazole-3-carbonitrile
- Molecular formula
- C9H7N3O
- Molecular weight
- 173.17
Names & synonyms
5-methoxy-1H-indazole-3-carbonitrile90322-88-63-Cyano-5-methoxy-1H-indazoleMFCD09834654SCHEMBL17221540DTXSID40659470XXCNXBQYSICCPC-UHFFFAOYSA-NAKOS006328525AB52766DB-078650CS-03408765-meth
Show more names
1H-Indazole-3-carbonitrile, 5-methoxy-
Database identifiers
- CAS
90322-88-6- PubChem CID
- 44558604
- DTXSID
DTXSID40659470
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 402.1 · 402.1±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.48 · 10.48±0.40(Predicted)
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Compound notes
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