(1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile

C17H12BrN — CID 725780

IUPAC(1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile
SMILESN#C[C@@H]1c2ccc(Br)cc2C=C[C@H]1c1ccccc1
InChIInChI=1S/C17H12BrN/c18-14-7-9-16-13(10-14)6-8-15(17(16)11-19)12-4-2-1-3-5-12/h1-10,15,17H/t15-,17-/m0/s1
InChIKeyKTUAEQBBERGTSN-RDJZCZTQSA-N
MW310.19 g/mol
LogP4.87
Rot. Bonds1

About (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile

(1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile (PubChem CID 725780) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name(1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile
PubChem CID725780
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name(1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile
SMILESN#C[C@@H]1c2ccc(Br)cc2C=C[C@H]1c1ccccc1
InChIInChI=1S/C17H12BrN/c18-14-7-9-16-13(10-14)6-8-15(17(16)11-19)12-4-2-1-3-5-12/h1-10,15,17H/t15-,17-/m0/s1
InChIKeyKTUAEQBBERGTSN-RDJZCZTQSA-N
XLogP4.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile?
The IUPAC name of (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile (CID 725780) is (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile is N#C[C@@H]1c2ccc(Br)cc2C=C[C@H]1c1ccccc1.
What is the InChIKey of (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile?
The InChIKey is KTUAEQBBERGTSN-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H12BrN/c18-14-7-9-16-13(10-14)6-8-15(17(16)11-19)12-4-2-1-3-5-12/h1-10,15,17H/t15-,17-/m0/s1.
What are the key properties of (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile?
(1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile has a molecular weight of 310.19 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-6-bromo-2-phenyl-1,2-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 725780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).