6-bromonaphthalene-2,3-dicarbonitrile

C12H5BrN2 — CID 784710

IUPAC6-bromonaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccc(Br)cc2cc1C#N
InChIInChI=1S/C12H5BrN2/c13-12-2-1-8-3-10(6-14)11(7-15)4-9(8)5-12/h1-5H
InChIKeyUERLNOIJNRUJKQ-UHFFFAOYSA-N
MW257.09 g/mol
LogP3.35
Rot. Bonds

About 6-bromonaphthalene-2,3-dicarbonitrile

6-bromonaphthalene-2,3-dicarbonitrile (PubChem CID 784710) has the molecular formula C12H5BrN2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 6-bromonaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-bromonaphthalene-2,3-dicarbonitrile
PubChem CID784710
Molecular FormulaC12H5BrN2
Molecular Weight257.09 g/mol
Exact Mass255.96
IUPAC Name6-bromonaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccc(Br)cc2cc1C#N
InChIInChI=1S/C12H5BrN2/c13-12-2-1-8-3-10(6-14)11(7-15)4-9(8)5-12/h1-5H
InChIKeyUERLNOIJNRUJKQ-UHFFFAOYSA-N
XLogP3.35
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromonaphthalene-2,3-dicarbonitrile 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-bromonaphthalene-2,3-dicarbonitrile?
The IUPAC name of 6-bromonaphthalene-2,3-dicarbonitrile (CID 784710) is 6-bromonaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 6-bromonaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 6-bromonaphthalene-2,3-dicarbonitrile is N#Cc1cc2ccc(Br)cc2cc1C#N.
What is the InChIKey of 6-bromonaphthalene-2,3-dicarbonitrile?
The InChIKey is UERLNOIJNRUJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrN2/c13-12-2-1-8-3-10(6-14)11(7-15)4-9(8)5-12/h1-5H.
What are the key properties of 6-bromonaphthalene-2,3-dicarbonitrile?
6-bromonaphthalene-2,3-dicarbonitrile has a molecular weight of 257.09 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromonaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 784710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).