6-bromo-4-chlorodibenzofuran-2-carbonitrile

C13H5BrClNO — CID 155763683

IUPAC6-bromo-4-chlorodibenzofuran-2-carbonitrile
SMILESN#Cc1cc(Cl)c2oc3c(Br)cccc3c2c1
InChIInChI=1S/C13H5BrClNO/c14-10-3-1-2-8-9-4-7(6-16)5-11(15)13(9)17-12(8)10/h1-5H
InChIKeyNNRNXYHCDJIEHP-UHFFFAOYSA-N
MW306.55 g/mol
LogP4.87
Rot. Bonds

About 6-bromo-4-chlorodibenzofuran-2-carbonitrile

6-bromo-4-chlorodibenzofuran-2-carbonitrile (PubChem CID 155763683) has the molecular formula C13H5BrClNO and a molecular weight of 306.55 g/mol. Its IUPAC name is 6-bromo-4-chlorodibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-chlorodibenzofuran-2-carbonitrile
PubChem CID155763683
Molecular FormulaC13H5BrClNO
Molecular Weight306.55 g/mol
Exact Mass304.92
IUPAC Name6-bromo-4-chlorodibenzofuran-2-carbonitrile
SMILESN#Cc1cc(Cl)c2oc3c(Br)cccc3c2c1
InChIInChI=1S/C13H5BrClNO/c14-10-3-1-2-8-9-4-7(6-16)5-11(15)13(9)17-12(8)10/h1-5H
InChIKeyNNRNXYHCDJIEHP-UHFFFAOYSA-N
XLogP4.87
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-5-chlorobenzonitrile
CID 169336449
4-bromonaphthalene-2-carbonitrile
CID 53485698
3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzonitrile
CID 167723783
4,5-dibromo-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-1,3,5,7,9,11,13-heptaene
CID 123634923
tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene-6,11-dicarbonitrile
CID 139258117
1,2,3,6-tetrabromodibenzofuran
CID 526230
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-[(3-bromophenyl)methoxy]-3,5-dichlorobenzonitrile
CID 91683303
7-bromo-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-carbonitrile
CID 162412255
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
4-bromo-6-fluoranthen-3-yldibenzofuran
CID 129100187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chlorodibenzofuran-2-carbonitrile?
The IUPAC name of 6-bromo-4-chlorodibenzofuran-2-carbonitrile (CID 155763683) is 6-bromo-4-chlorodibenzofuran-2-carbonitrile.
What is the SMILES notation for 6-bromo-4-chlorodibenzofuran-2-carbonitrile?
The canonical SMILES for 6-bromo-4-chlorodibenzofuran-2-carbonitrile is N#Cc1cc(Cl)c2oc3c(Br)cccc3c2c1.
What is the InChIKey of 6-bromo-4-chlorodibenzofuran-2-carbonitrile?
The InChIKey is NNRNXYHCDJIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrClNO/c14-10-3-1-2-8-9-4-7(6-16)5-11(15)13(9)17-12(8)10/h1-5H.
What are the key properties of 6-bromo-4-chlorodibenzofuran-2-carbonitrile?
6-bromo-4-chlorodibenzofuran-2-carbonitrile has a molecular weight of 306.55 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chlorodibenzofuran-2-carbonitrile is sourced from PubChem (CID 155763683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).