2-bromo-6-(2-bromoanilino)benzonitrile

C13H8Br2N2 — CID 114880504

IUPAC2-bromo-6-(2-bromoanilino)benzonitrile
SMILESN#Cc1c(Br)cccc1Nc1ccccc1Br
InChIInChI=1S/C13H8Br2N2/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7,17H
InChIKeyUFLRSNATWCWSKG-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.83
Rot. Bonds2

About 2-bromo-6-(2-bromoanilino)benzonitrile

2-bromo-6-(2-bromoanilino)benzonitrile (PubChem CID 114880504) has the molecular formula C13H8Br2N2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 2-bromo-6-(2-bromoanilino)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(2-bromoanilino)benzonitrile
PubChem CID114880504
Molecular FormulaC13H8Br2N2
Molecular Weight352.03 g/mol
Exact Mass349.91
IUPAC Name2-bromo-6-(2-bromoanilino)benzonitrile
SMILESN#Cc1c(Br)cccc1Nc1ccccc1Br
InChIInChI=1S/C13H8Br2N2/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7,17H
InChIKeyUFLRSNATWCWSKG-UHFFFAOYSA-N
XLogP4.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-bromo-6-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 114881261
2-(2-bromoanilino)benzonitrile
CID 28602037
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 114881036
2-bromo-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414153
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100
2-bromo-6-(3-iodo-4-methylanilino)benzonitrile
CID 114257443
2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
CID 114880413
2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
CID 114881431
3-(3-bromo-2-cyanoanilino)benzamide
CID 107811349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-bromoanilino)benzonitrile?
The IUPAC name of 2-bromo-6-(2-bromoanilino)benzonitrile (CID 114880504) is 2-bromo-6-(2-bromoanilino)benzonitrile.
What is the SMILES notation for 2-bromo-6-(2-bromoanilino)benzonitrile?
The canonical SMILES for 2-bromo-6-(2-bromoanilino)benzonitrile is N#Cc1c(Br)cccc1Nc1ccccc1Br.
What is the InChIKey of 2-bromo-6-(2-bromoanilino)benzonitrile?
The InChIKey is UFLRSNATWCWSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7,17H.
What are the key properties of 2-bromo-6-(2-bromoanilino)benzonitrile?
2-bromo-6-(2-bromoanilino)benzonitrile has a molecular weight of 352.03 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-bromoanilino)benzonitrile is sourced from PubChem (CID 114880504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).