2-bromo-4-(2-bromoanilino)benzonitrile

C13H8Br2N2 — CID 107275827

IUPAC2-bromo-4-(2-bromoanilino)benzonitrile
SMILESN#Cc1ccc(Nc2ccccc2Br)cc1Br
InChIInChI=1S/C13H8Br2N2/c14-11-3-1-2-4-13(11)17-10-6-5-9(8-16)12(15)7-10/h1-7,17H
InChIKeyBRCNUORNBVSIII-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.83
Rot. Bonds2

About 2-bromo-4-(2-bromoanilino)benzonitrile

2-bromo-4-(2-bromoanilino)benzonitrile (PubChem CID 107275827) has the molecular formula C13H8Br2N2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 2-bromo-4-(2-bromoanilino)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2-bromoanilino)benzonitrile
PubChem CID107275827
Molecular FormulaC13H8Br2N2
Molecular Weight352.03 g/mol
Exact Mass349.91
IUPAC Name2-bromo-4-(2-bromoanilino)benzonitrile
SMILESN#Cc1ccc(Nc2ccccc2Br)cc1Br
InChIInChI=1S/C13H8Br2N2/c14-11-3-1-2-4-13(11)17-10-6-5-9(8-16)12(15)7-10/h1-7,17H
InChIKeyBRCNUORNBVSIII-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

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2-bromo-4-(2,3,5-trifluoroanilino)benzonitrile
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2-bromo-4-(3,5-dimethoxyanilino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-bromoanilino)benzonitrile?
The IUPAC name of 2-bromo-4-(2-bromoanilino)benzonitrile (CID 107275827) is 2-bromo-4-(2-bromoanilino)benzonitrile.
What is the SMILES notation for 2-bromo-4-(2-bromoanilino)benzonitrile?
The canonical SMILES for 2-bromo-4-(2-bromoanilino)benzonitrile is N#Cc1ccc(Nc2ccccc2Br)cc1Br.
What is the InChIKey of 2-bromo-4-(2-bromoanilino)benzonitrile?
The InChIKey is BRCNUORNBVSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2/c14-11-3-1-2-4-13(11)17-10-6-5-9(8-16)12(15)7-10/h1-7,17H.
What are the key properties of 2-bromo-4-(2-bromoanilino)benzonitrile?
2-bromo-4-(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-4-(2-bromoanilino)benzonitrile is sourced from PubChem (CID 107275827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).