3-(6-Chloro-3-methyl-2-indenyl)pyridine
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Basic information
- CAS
2126-63-8- Standard SMILES
CC1=C(c2cccnc2)Cc2cc(Cl)ccc21- InChIKey
STLUNQZEUDXBQE-UHFFFAOYSA-N- Molecular formula
- C15H12ClN
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0658271
Overview
17-OH-steroid hydroxylase antagonist; structure
Names & identifiers
- Preferred name
- 3-(6-Chloro-3-methyl-2-indenyl)pyridine
- IUPAC
- 3-(6-chloro-3-methyl-1H-inden-2-yl)pyridine
- English name
- 3-(6-chloro-3-methyl-2-indenyl)pyridine
- Molecular formula
- C15H12ClN
- Molecular weight
- 241.72
Names & synonyms
2126-63-83-(6-Chloro-3-methyl-2-indenyl)pyridine6JRP028YN0Pyridine, 3-(6-chloro-3-methyl-1H-inden-2-yl)-RefChem:925203-(6-Chloro-3-methyl-1H-inden-2-yl)pyridineSU-8000Pyridine, 3-(6-chloro-3-methylinden-2-yl)-UNII-6JRP028YN0orb2814848CHEMBL5401421SCHEMBL29356366
Show more names
DTXSID90943679GLXC-27396HY-156481T202864Q27265015
Database identifiers
- CAS
2126-63-8- PubChem CID
- 159647
- DTXSID
DTXSID90943679- ChEMBL
CHEMBL5401421- UNII
- 6JRP028YN0
- Nikkaji
- J78.929A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- FDA UNII
- 6 JRP028YN0 · 6JRP028YN0
Chemistry & industry
Applications
UsesSU-8000 is an inhibitor that selectively targets 17α-hydroxylase and C17-20-lyase in rat testes. When administered to pregnant rats, SU-8000 can cause hypospadias in male fetuses[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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