4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile

C13H6Br2F2N2 — CID 114901411

IUPAC4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H6Br2F2N2/c14-8-2-1-7(6-18)12(3-8)19-13-10(15)4-9(16)5-11(13)17/h1-5,19H
InChIKeyWSWIPGPKOFFPRJ-UHFFFAOYSA-N
MW388.01 g/mol
LogP5.11
Rot. Bonds2

About 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile

4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile (PubChem CID 114901411) has the molecular formula C13H6Br2F2N2 and a molecular weight of 388.01 g/mol. Its IUPAC name is 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
PubChem CID114901411
Molecular FormulaC13H6Br2F2N2
Molecular Weight388.01 g/mol
Exact Mass385.89
IUPAC Name4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H6Br2F2N2/c14-8-2-1-7(6-18)12(3-8)19-13-10(15)4-9(16)5-11(13)17/h1-5,19H
InChIKeyWSWIPGPKOFFPRJ-UHFFFAOYSA-N
XLogP5.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.01
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile
CID 114902260
4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
CID 63512271
4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
CID 81306553
4-bromo-2-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103586124
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
CID 114002435
4-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114901444
4-bromo-2-(methylamino)benzonitrile
CID 24903089
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile?
The IUPAC name of 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile (CID 114901411) is 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile.
What is the SMILES notation for 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile?
The canonical SMILES for 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile is N#Cc1ccc(Br)cc1Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile?
The InChIKey is WSWIPGPKOFFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F2N2/c14-8-2-1-7(6-18)12(3-8)19-13-10(15)4-9(16)5-11(13)17/h1-5,19H.
What are the key properties of 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile?
4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile has a molecular weight of 388.01 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile is sourced from PubChem (CID 114901411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).