2-(2-bromoanilino)-5-fluorobenzonitrile

C13H8BrFN2 — CID 55232513

IUPAC2-(2-bromoanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccccc1Br
InChIInChI=1S/C13H8BrFN2/c14-11-3-1-2-4-13(11)17-12-6-5-10(15)7-9(12)8-16/h1-7,17H
InChIKeyFNHGABCTYSRFMO-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.20
Rot. Bonds2

About 2-(2-bromoanilino)-5-fluorobenzonitrile

2-(2-bromoanilino)-5-fluorobenzonitrile (PubChem CID 55232513) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-(2-bromoanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)-5-fluorobenzonitrile
PubChem CID55232513
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name2-(2-bromoanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccccc1Br
InChIInChI=1S/C13H8BrFN2/c14-11-3-1-2-4-13(11)17-12-6-5-10(15)7-9(12)8-16/h1-7,17H
InChIKeyFNHGABCTYSRFMO-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

2-(2-bromoanilino)benzonitrile
CID 28602037
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2-amino-5-bromoanilino)-5-fluorobenzonitrile
CID 82014339
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(4-bromo-2,6-dimethylanilino)-5-fluorobenzonitrile
CID 65468036
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
2-(2-bromo-4-chloroanilino)benzonitrile
CID 81271318

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-bromoanilino)-5-fluorobenzonitrile (CID 55232513) is 2-(2-bromoanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-bromoanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-bromoanilino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-5-fluorobenzonitrile?
The InChIKey is FNHGABCTYSRFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-11-3-1-2-4-13(11)17-12-6-5-10(15)7-9(12)8-16/h1-7,17H.
What are the key properties of 2-(2-bromoanilino)-5-fluorobenzonitrile?
2-(2-bromoanilino)-5-fluorobenzonitrile 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 2-(2-bromoanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 55232513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).