Basic information
- CAS
52837-55-5- Standard SMILES
c1ccc2c(c1)CCc1c(-c3ccncc3)n[nH]c1-2- InChIKey
NNOXRNQSZZKVKE-UHFFFAOYSA-N- Molecular formula
- C16H13N3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.11094743
Names & identifiers
- Preferred name
- 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole
- IUPAC
- 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole
- English name
- 4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE, 99
- Molecular formula
- C16H13N3
- Molecular weight
- 247.29
Names & synonyms
52837-55-54,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole3-(Pyridin-4-yl)-4,5-dihydro-1H-benzo[g]indazole3-(4-Pyridyl)-4,5-dihydro-1H-benzo[g]indazole3-(4-pyridyl)-4,5-dihydro-2H-benzo[g]indazoleEINECS 258-215-2NSC2479986FX2TQJ5G7Oprea1_308703SCHEMBL7089728SCHEMBL8063320
Show more names
4,5-Dihydro-3-(4-pyridinyl)-2H-benz[g]indazole3-(4-Pyridinyl)-4,5-dihydro-2H-benz[g]indazole4,5-dihydro-3-(pyridin-4-yl)-2H-benz[g]indazole2H-Benz[g]indazole, 4,5-dihydro-3-(4-pyridinyl)-4,5-dihydro-3-(4-pyridinyl)-2H-benz(G)-indazole,4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE, 99
CHEMBL1616829DTXSID10200832SBB057767AKOS024307471NSC-247998NCGC00247292-01NCI60_001979DB-294928
Database identifiers
- CAS
52837-55-5、54569-87-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 237 · 237-238 °C(lit.)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…