6-bromo-7-iodonaphthalene-2-carbonitrile

C11H5BrIN — CID 67499909

IUPAC6-bromo-7-iodonaphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(Br)c(I)cc2c1
InChIInChI=1S/C11H5BrIN/c12-10-4-8-2-1-7(6-14)3-9(8)5-11(10)13/h1-5H
InChIKeyWKDYINYNALGSBZ-UHFFFAOYSA-N
MW357.98 g/mol
LogP4.08
Rot. Bonds

About 6-bromo-7-iodonaphthalene-2-carbonitrile

6-bromo-7-iodonaphthalene-2-carbonitrile (PubChem CID 67499909) has the molecular formula C11H5BrIN and a molecular weight of 357.98 g/mol. Its IUPAC name is 6-bromo-7-iodonaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-7-iodonaphthalene-2-carbonitrile
PubChem CID67499909
Molecular FormulaC11H5BrIN
Molecular Weight357.98 g/mol
Exact Mass356.87
IUPAC Name6-bromo-7-iodonaphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(Br)c(I)cc2c1
InChIInChI=1S/C11H5BrIN/c12-10-4-8-2-1-7(6-14)3-9(8)5-11(10)13/h1-5H
InChIKeyWKDYINYNALGSBZ-UHFFFAOYSA-N
XLogP4.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-iodobenzonitrile
CID 26598355
anthracene-2,6-dicarbonitrile
CID 89012264
7-bromophenanthrene-2-carbonitrile
CID 129104826
7-bromo-3-iodonaphthalene-2-carbonitrile
CID 162349749
6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile
CID 142730471
3-fluoro-4-iodobenzonitrile
CID 24721521
sodium 3-hydroxynaphthalene-2,7-dicarbonitrile
CID 23118694
6-(dihydroxymethyl)naphthalene-2-carbonitrile
CID 20669960
4-amino-3-iodobenzonitrile;hydroiodide
CID 161496000
4-chloro-3-iodobenzonitrile
CID 16659396
3-iodo-4-sulfanylbenzonitrile
CID 91874029
7-ethylnaphthalene-2-carbonitrile
CID 134555002

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-iodonaphthalene-2-carbonitrile?
The IUPAC name of 6-bromo-7-iodonaphthalene-2-carbonitrile (CID 67499909) is 6-bromo-7-iodonaphthalene-2-carbonitrile.
What is the SMILES notation for 6-bromo-7-iodonaphthalene-2-carbonitrile?
The canonical SMILES for 6-bromo-7-iodonaphthalene-2-carbonitrile is N#Cc1ccc2cc(Br)c(I)cc2c1.
What is the InChIKey of 6-bromo-7-iodonaphthalene-2-carbonitrile?
The InChIKey is WKDYINYNALGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrIN/c12-10-4-8-2-1-7(6-14)3-9(8)5-11(10)13/h1-5H.
What are the key properties of 6-bromo-7-iodonaphthalene-2-carbonitrile?
6-bromo-7-iodonaphthalene-2-carbonitrile has a molecular weight of 357.98 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-iodonaphthalene-2-carbonitrile is sourced from PubChem (CID 67499909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).