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

C13H7BrF2N2 — CID 107275893

IUPAC2-bromo-4-(2,6-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2F)cc1Br
InChIInChI=1S/C13H7BrF2N2/c14-10-6-9(5-4-8(10)7-17)18-13-11(15)2-1-3-12(13)16/h1-6,18H
InChIKeySBIDFFBXRNUYHP-UHFFFAOYSA-N
MW309.11 g/mol
LogP4.34
Rot. Bonds2

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

2-bromo-4-(2,6-difluoroanilino)benzonitrile (PubChem CID 107275893) has the molecular formula C13H7BrF2N2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-bromo-4-(2,6-difluoroanilino)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2,6-difluoroanilino)benzonitrile
PubChem CID107275893
Molecular FormulaC13H7BrF2N2
Molecular Weight309.11 g/mol
Exact Mass307.98
IUPAC Name2-bromo-4-(2,6-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2F)cc1Br
InChIInChI=1S/C13H7BrF2N2/c14-10-6-9(5-4-8(10)7-17)18-13-11(15)2-1-3-12(13)16/h1-6,18H
InChIKeySBIDFFBXRNUYHP-UHFFFAOYSA-N
XLogP4.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827
2-bromo-4-(2,3,5-trifluoroanilino)benzonitrile
CID 107276295
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
2-amino-4-(3-bromo-4-fluoroanilino)benzonitrile
CID 104775627
4-[3-(2-aminoethoxy)anilino]-2-bromobenzonitrile
CID 107280658
4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
CID 63512271
5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile
CID 107600328
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320
2-bromo-4-(3-ethoxyanilino)benzonitrile
CID 107276122
4-(3-bromo-4-cyanoanilino)benzoic acid
CID 107275336
2-bromo-4-(3,5-dimethoxyanilino)benzonitrile
CID 107275779

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,6-difluoroanilino)benzonitrile?
The IUPAC name of 2-bromo-4-(2,6-difluoroanilino)benzonitrile (CID 107275893) is 2-bromo-4-(2,6-difluoroanilino)benzonitrile.
What is the SMILES notation for 2-bromo-4-(2,6-difluoroanilino)benzonitrile?
The canonical SMILES for 2-bromo-4-(2,6-difluoroanilino)benzonitrile is N#Cc1ccc(Nc2c(F)cccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-(2,6-difluoroanilino)benzonitrile?
The InChIKey is SBIDFFBXRNUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2/c14-10-6-9(5-4-8(10)7-17)18-13-11(15)2-1-3-12(13)16/h1-6,18H.
What are the key properties of 2-bromo-4-(2,6-difluoroanilino)benzonitrile?
2-bromo-4-(2,6-difluoroanilino)benzonitrile has a molecular weight of 309.11 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,6-difluoroanilino)benzonitrile is sourced from PubChem (CID 107275893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).