7-bromo-3-iodonaphthalene-2-carbonitrile

C11H5BrIN — CID 162349749

IUPAC7-bromo-3-iodonaphthalene-2-carbonitrile
SMILESN#Cc1cc2cc(Br)ccc2cc1I
InChIInChI=1S/C11H5BrIN/c12-10-2-1-7-5-11(13)9(6-14)3-8(7)4-10/h1-5H
InChIKeyGTJSCKJOYGVASH-UHFFFAOYSA-N
MW357.98 g/mol
LogP4.08
Rot. Bonds

About 7-bromo-3-iodonaphthalene-2-carbonitrile

7-bromo-3-iodonaphthalene-2-carbonitrile (PubChem CID 162349749) has the molecular formula C11H5BrIN and a molecular weight of 357.98 g/mol. Its IUPAC name is 7-bromo-3-iodonaphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-bromo-3-iodonaphthalene-2-carbonitrile
PubChem CID162349749
Molecular FormulaC11H5BrIN
Molecular Weight357.98 g/mol
Exact Mass356.87
IUPAC Name7-bromo-3-iodonaphthalene-2-carbonitrile
SMILESN#Cc1cc2cc(Br)ccc2cc1I
InChIInChI=1S/C11H5BrIN/c12-10-2-1-7-5-11(13)9(6-14)3-8(7)4-10/h1-5H
InChIKeyGTJSCKJOYGVASH-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

6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
2,6-dibromonaphthalene
CID 640591
6-bromo-7-iodonaphthalene-2-carbonitrile
CID 67499909
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
7-bromophenanthrene-2-carbonitrile
CID 129104826
4-bromo-2-sulfanylbenzonitrile
CID 70106484
naphthalene-2,3-dicarbonitrile
CID 601270
2-bromonaphthalene
CID 50940586
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
2,4-diiodobenzonitrile
CID 11199048
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-iodonaphthalene-2-carbonitrile?
The IUPAC name of 7-bromo-3-iodonaphthalene-2-carbonitrile (CID 162349749) is 7-bromo-3-iodonaphthalene-2-carbonitrile.
What is the SMILES notation for 7-bromo-3-iodonaphthalene-2-carbonitrile?
The canonical SMILES for 7-bromo-3-iodonaphthalene-2-carbonitrile is N#Cc1cc2cc(Br)ccc2cc1I.
What is the InChIKey of 7-bromo-3-iodonaphthalene-2-carbonitrile?
The InChIKey is GTJSCKJOYGVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrIN/c12-10-2-1-7-5-11(13)9(6-14)3-8(7)4-10/h1-5H.
What are the key properties of 7-bromo-3-iodonaphthalene-2-carbonitrile?
7-bromo-3-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 7-bromo-3-iodonaphthalene-2-carbonitrile is sourced from PubChem (CID 162349749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).