3-(2,6-dibromophenyl)benzonitrile

C13H7Br2N — CID 153317641

IUPAC3-(2,6-dibromophenyl)benzonitrile
SMILESN#Cc1cccc(-c2c(Br)cccc2Br)c1
InChIInChI=1S/C13H7Br2N/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7H
InChIKeyHLTFCPWNWPOEEW-UHFFFAOYSA-N
MW337.01 g/mol
LogP4.75
Rot. Bonds1

About 3-(2,6-dibromophenyl)benzonitrile

3-(2,6-dibromophenyl)benzonitrile (PubChem CID 153317641) has the molecular formula C13H7Br2N and a molecular weight of 337.01 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)benzonitrile.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)benzonitrile
PubChem CID153317641
Molecular FormulaC13H7Br2N
Molecular Weight337.01 g/mol
Exact Mass334.89
IUPAC Name3-(2,6-dibromophenyl)benzonitrile
SMILESN#Cc1cccc(-c2c(Br)cccc2Br)c1
InChIInChI=1S/C13H7Br2N/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7H
InChIKeyHLTFCPWNWPOEEW-UHFFFAOYSA-N
XLogP4.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-amino-5-bromo-2-(3-cyanophenyl)benzonitrile
CID 69072765
3-bromo-5-(3-cyanophenyl)-4-hydroxybenzonitrile
CID 167329094
3-(3,5-difluoro-4-pyridinyl)benzonitrile
CID 142452389
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141
3-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771083
3-(furan-2-yl)benzonitrile
CID 4163731
3-(2,4-difluoro-3-pyridinyl)benzonitrile
CID 68537562
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424
3-(5-bromo-4-methylthiophen-2-yl)benzonitrile
CID 132540534
3-(2,6-difluoro-3-hydroxyphenyl)benzonitrile
CID 56997957

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)benzonitrile?
The IUPAC name of 3-(2,6-dibromophenyl)benzonitrile (CID 153317641) is 3-(2,6-dibromophenyl)benzonitrile.
What is the SMILES notation for 3-(2,6-dibromophenyl)benzonitrile?
The canonical SMILES for 3-(2,6-dibromophenyl)benzonitrile is N#Cc1cccc(-c2c(Br)cccc2Br)c1.
What is the InChIKey of 3-(2,6-dibromophenyl)benzonitrile?
The InChIKey is HLTFCPWNWPOEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2N/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7H.
What are the key properties of 3-(2,6-dibromophenyl)benzonitrile?
3-(2,6-dibromophenyl)benzonitrile has a molecular weight of 337.01 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)benzonitrile is sourced from PubChem (CID 153317641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).