8-bromonaphthalene-1-carbonitrile

C11H6BrN — CID 98040758

IUPAC8-bromonaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(Br)c12
InChIInChI=1S/C11H6BrN/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6H
InChIKeyNBDRWCNQCJIOFN-UHFFFAOYSA-N
MW232.08 g/mol
LogP3.47
Rot. Bonds

About 8-bromonaphthalene-1-carbonitrile

8-bromonaphthalene-1-carbonitrile (PubChem CID 98040758) has the molecular formula C11H6BrN and a molecular weight of 232.08 g/mol. Its IUPAC name is 8-bromonaphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-bromonaphthalene-1-carbonitrile
PubChem CID98040758
Molecular FormulaC11H6BrN
Molecular Weight232.08 g/mol
Exact Mass230.97
IUPAC Name8-bromonaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(Br)c12
InChIInChI=1S/C11H6BrN/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6H
InChIKeyNBDRWCNQCJIOFN-UHFFFAOYSA-N
XLogP3.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromonaphthalene-1-carbonitrile?
The IUPAC name of 8-bromonaphthalene-1-carbonitrile (CID 98040758) is 8-bromonaphthalene-1-carbonitrile.
What is the SMILES notation for 8-bromonaphthalene-1-carbonitrile?
The canonical SMILES for 8-bromonaphthalene-1-carbonitrile is N#Cc1cccc2cccc(Br)c12.
What is the InChIKey of 8-bromonaphthalene-1-carbonitrile?
The InChIKey is NBDRWCNQCJIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6H.
What are the key properties of 8-bromonaphthalene-1-carbonitrile?
8-bromonaphthalene-1-carbonitrile has a molecular weight of 232.08 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromonaphthalene-1-carbonitrile is sourced from PubChem (CID 98040758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).