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

C13H6BrF3N2 — CID 79513028

IUPAC2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H6BrF3N2/c14-7-4-10(16)13(11(17)5-7)19-12-3-1-2-9(15)8(12)6-18/h1-5,19H
InChIKeyITLQBQDMMDCRGZ-UHFFFAOYSA-N
MW327.10 g/mol
LogP4.48
Rot. Bonds2

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

2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile (PubChem CID 79513028) has the molecular formula C13H6BrF3N2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
PubChem CID79513028
Molecular FormulaC13H6BrF3N2
Molecular Weight327.10 g/mol
Exact Mass325.97
IUPAC Name2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H6BrF3N2/c14-7-4-10(16)13(11(17)5-7)19-12-3-1-2-9(15)8(12)6-18/h1-5,19H
InChIKeyITLQBQDMMDCRGZ-UHFFFAOYSA-N
XLogP4.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
CID 82798506
2-bromo-6-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 114881261
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
CID 103583178
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060865
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile (CID 79513028) is 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile?
The InChIKey is ITLQBQDMMDCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2/c14-7-4-10(16)13(11(17)5-7)19-12-3-1-2-9(15)8(12)6-18/h1-5,19H.
What are the key properties of 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile?
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile has a molecular weight of 327.10 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 79513028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).