4-bromonaphthalene-2-carbonitrile

C11H6BrN — CID 53485698

IUPAC4-bromonaphthalene-2-carbonitrile
SMILESN#Cc1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H6BrN/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6H
InChIKeyVFVLFPVBNRQPHB-UHFFFAOYSA-N
MW232.08 g/mol
LogP3.47
Rot. Bonds

About 4-bromonaphthalene-2-carbonitrile

4-bromonaphthalene-2-carbonitrile (PubChem CID 53485698) has the molecular formula C11H6BrN and a molecular weight of 232.08 g/mol. Its IUPAC name is 4-bromonaphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-bromonaphthalene-2-carbonitrile
PubChem CID53485698
Molecular FormulaC11H6BrN
Molecular Weight232.08 g/mol
Exact Mass230.97
IUPAC Name4-bromonaphthalene-2-carbonitrile
SMILESN#Cc1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H6BrN/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6H
InChIKeyVFVLFPVBNRQPHB-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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Related Compounds

4-bromonaphthalene-2-carbonitrile;4-bromonaphthalene-2-carboxamide;methyl 4-bromonaphthalene-2-carboxylate
CID 160566971
4-formylnaphthalene-2-carbonitrile
CID 86010099
4-(difluoromethyl)naphthalene-2-carbonitrile
CID 119015335
3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzonitrile
CID 22688048
4-bromonaphthalene-2-carbonitrile;6-bromo-1,2,3,4-tetrahydronaphthalene;4-bromo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydronaphthalene-2-carbonitrile;5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 159031512
7-bromophenanthrene-2-carbonitrile
CID 129104826
3,5-dibromo-4-(phenylsulfanylmethoxy)benzonitrile
CID 15592009
4-[(E)-2-anthracen-9-ylethenyl]benzonitrile
CID 5378650
4-phenanthren-9-ylbenzonitrile
CID 89027020
anthracene-2,9-dicarbonitrile
CID 22395387
4-[4-(2-bromonaphthalen-1-yl)phenyl]benzonitrile
CID 139525986
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561

Frequently Asked Questions

What is the IUPAC name of 4-bromonaphthalene-2-carbonitrile?
The IUPAC name of 4-bromonaphthalene-2-carbonitrile (CID 53485698) is 4-bromonaphthalene-2-carbonitrile.
What is the SMILES notation for 4-bromonaphthalene-2-carbonitrile?
The canonical SMILES for 4-bromonaphthalene-2-carbonitrile is N#Cc1cc(Br)c2ccccc2c1.
What is the InChIKey of 4-bromonaphthalene-2-carbonitrile?
The InChIKey is VFVLFPVBNRQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6H.
What are the key properties of 4-bromonaphthalene-2-carbonitrile?
4-bromonaphthalene-2-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 4-bromonaphthalene-2-carbonitrile is sourced from PubChem (CID 53485698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).