4-(2-bromo-6-fluoroanilino)benzonitrile

C13H8BrFN2 — CID 107600374

IUPAC4-(2-bromo-6-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C13H8BrFN2/c14-11-2-1-3-12(15)13(11)17-10-6-4-9(8-16)5-7-10/h1-7,17H
InChIKeyISYZYOGZBOCSFH-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.20
Rot. Bonds2

About 4-(2-bromo-6-fluoroanilino)benzonitrile

4-(2-bromo-6-fluoroanilino)benzonitrile (PubChem CID 107600374) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 4-(2-bromo-6-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name4-(2-bromo-6-fluoroanilino)benzonitrile
PubChem CID107600374
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name4-(2-bromo-6-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C13H8BrFN2/c14-11-2-1-3-12(15)13(11)17-10-6-4-9(8-16)5-7-10/h1-7,17H
InChIKeyISYZYOGZBOCSFH-UHFFFAOYSA-N
XLogP4.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450
4-(2,3-difluoroanilino)benzonitrile
CID 61076836
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
2-amino-3-(2-bromo-6-fluoroanilino)benzonitrile
CID 107596630
N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 107600421
5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
CID 107596632
4-(2-bromo-4-fluoroanilino)benzonitrile
CID 28939526
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
CID 82798506
2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
CID 107600391
3-[1-(2-bromo-6-fluoroanilino)ethyl]benzonitrile
CID 107598019
N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
CID 112990032
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluoroanilino)benzonitrile?
The IUPAC name of 4-(2-bromo-6-fluoroanilino)benzonitrile (CID 107600374) is 4-(2-bromo-6-fluoroanilino)benzonitrile.
What is the SMILES notation for 4-(2-bromo-6-fluoroanilino)benzonitrile?
The canonical SMILES for 4-(2-bromo-6-fluoroanilino)benzonitrile is N#Cc1ccc(Nc2c(F)cccc2Br)cc1.
What is the InChIKey of 4-(2-bromo-6-fluoroanilino)benzonitrile?
The InChIKey is ISYZYOGZBOCSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-11-2-1-3-12(15)13(11)17-10-6-4-9(8-16)5-7-10/h1-7,17H.
What are the key properties of 4-(2-bromo-6-fluoroanilino)benzonitrile?
4-(2-bromo-6-fluoroanilino)benzonitrile has a molecular weight of 291.12 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluoroanilino)benzonitrile is sourced from PubChem (CID 107600374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).