6-bromo-2-nitroso-3-phenylnaphthalene

C16H10BrNO — CID 134406936

IUPAC6-bromo-2-nitroso-3-phenylnaphthalene
SMILESO=Nc1cc2ccc(Br)cc2cc1-c1ccccc1
InChIInChI=1S/C16H10BrNO/c17-14-7-6-12-10-16(18-19)15(9-13(12)8-14)11-4-2-1-3-5-11/h1-10H
InChIKeyIQFBQMCCZPWMNE-UHFFFAOYSA-N
MW312.17 g/mol
LogP5.67
Rot. Bonds2

About 6-bromo-2-nitroso-3-phenylnaphthalene

6-bromo-2-nitroso-3-phenylnaphthalene (PubChem CID 134406936) has the molecular formula C16H10BrNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-bromo-2-nitroso-3-phenylnaphthalene.

Molecular Properties

Compound Name6-bromo-2-nitroso-3-phenylnaphthalene
PubChem CID134406936
Molecular FormulaC16H10BrNO
Molecular Weight312.17 g/mol
Exact Mass310.99
IUPAC Name6-bromo-2-nitroso-3-phenylnaphthalene
SMILESO=Nc1cc2ccc(Br)cc2cc1-c1ccccc1
InChIInChI=1S/C16H10BrNO/c17-14-7-6-12-10-16(18-19)15(9-13(12)8-14)11-4-2-1-3-5-11/h1-10H
InChIKeyIQFBQMCCZPWMNE-UHFFFAOYSA-N
XLogP5.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.17
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-nitroso-3-phenylnaphthalene 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 6-bromo-2-nitroso-3-phenylnaphthalene?
The IUPAC name of 6-bromo-2-nitroso-3-phenylnaphthalene (CID 134406936) is 6-bromo-2-nitroso-3-phenylnaphthalene.
What is the SMILES notation for 6-bromo-2-nitroso-3-phenylnaphthalene?
The canonical SMILES for 6-bromo-2-nitroso-3-phenylnaphthalene is O=Nc1cc2ccc(Br)cc2cc1-c1ccccc1.
What is the InChIKey of 6-bromo-2-nitroso-3-phenylnaphthalene?
The InChIKey is IQFBQMCCZPWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO/c17-14-7-6-12-10-16(18-19)15(9-13(12)8-14)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 6-bromo-2-nitroso-3-phenylnaphthalene?
6-bromo-2-nitroso-3-phenylnaphthalene has a molecular weight of 312.17 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-nitroso-3-phenylnaphthalene is sourced from PubChem (CID 134406936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).