Basic information
- CAS
120273-58-7- Standard SMILES
O=c1c2ccccc2[nH]n1Cc1cccnc1- InChIKey
SKZAIZCDZYPCRF-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(3-Pyridylmethyl)indazolinone
- IUPAC
- 2-(pyridin-3-ylmethyl)-1H-indazol-3-one
- English name
- 2-(3-pyridylmethyl)indazolinone
- Molecular formula
- C13H11N3O
- Molecular weight
- 225.25
Names & synonyms
2-(3-Pyridylmethyl)indazolinone120273-58-7ICI-207968DTXSID90152784ICI2079683H-Indazol-3-one, 1,2-dihydro-2-(3-pyridinylmethyl)-RefChem:909244DTXCID6075275CHEMBL3144579ICI 207968CHEMBL83372-Pyridin-3-ylmethyl-1,2-dihydro-indazol-3-one
Show more names
2-[(3-Pyridinyl)methyl]-1H-indazol-3(2H)-one2-(3-Pyridylmethyl)-1,2-dihydro-3H-indazol-3-one1,2-Dihydro-2-(3-pyridylmethyl)-3H-indazol-3-one
C6F3674CUNSCHEMBL9596545BDBM50008992PD1807161,2-Dihydro-2-(3-pyridinylmethyl)-3H-indazol-3-one2-[(Pyridin-3-yl)methyl]-1,2-dihydro-3H-indazol-3-one
Database identifiers
- CAS
120273-58-7- PubChem CID
- 129095
- DTXSID
DTXSID90152784- ChEMBL
CHEMBL3144579- UNII
- C6F3674CUN
- Nikkaji
- J372.977J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- FDA UNII
- 6 F3674CUN · C6F3674CUN
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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