2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile

C13H6Br2F2N2 — CID 107600391

IUPAC2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2Br)c(F)c1Br
InChIInChI=1S/C13H6Br2F2N2/c14-8-2-1-3-9(16)13(8)19-10-5-4-7(6-18)11(15)12(10)17/h1-5,19H
InChIKeyQMCQWMFRFLDUBX-UHFFFAOYSA-N
MW388.01 g/mol
LogP5.11
Rot. Bonds2

About 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile

2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile (PubChem CID 107600391) has the molecular formula C13H6Br2F2N2 and a molecular weight of 388.01 g/mol. Its IUPAC name is 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
PubChem CID107600391
Molecular FormulaC13H6Br2F2N2
Molecular Weight388.01 g/mol
Exact Mass385.89
IUPAC Name2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2Br)c(F)c1Br
InChIInChI=1S/C13H6Br2F2N2/c14-8-2-1-3-9(16)13(8)19-10-5-4-7(6-18)11(15)12(10)17/h1-5,19H
InChIKeyQMCQWMFRFLDUBX-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

2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
CID 107533775
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320
2-bromo-4-(2,6-diethylanilino)-3-fluorobenzonitrile
CID 107533023
2-amino-3-(2-bromo-6-fluoroanilino)benzonitrile
CID 107596630
2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
CID 107533046
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
2-bromo-4-(4-chloro-2-iodoanilino)-3-fluorobenzonitrile
CID 107635251
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
4-(3-bromo-2-methylanilino)-2,3-difluorobenzonitrile
CID 107934305
2-bromo-3-fluoro-4-[(2-methyl-3-pyridinyl)amino]benzonitrile
CID 107533809
2-bromo-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzonitrile
CID 107849539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile (CID 107600391) is 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile is N#Cc1ccc(Nc2c(F)cccc2Br)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile?
The InChIKey is QMCQWMFRFLDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F2N2/c14-8-2-1-3-9(16)13(8)19-10-5-4-7(6-18)11(15)12(10)17/h1-5,19H.
What are the key properties of 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile?
2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile 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 2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile is sourced from PubChem (CID 107600391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).