4-amino-3-bromo-5-fluorobenzonitrile

C7H4BrFN2 — CID 28820660

IUPAC4-amino-3-bromo-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(N)c(Br)c1
InChIInChI=1S/C7H4BrFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKeyJAEADHWFVOCKED-UHFFFAOYSA-N
MW215.03 g/mol
LogP2.04
Rot. Bonds

About 4-amino-3-bromo-5-fluorobenzonitrile

4-amino-3-bromo-5-fluorobenzonitrile (PubChem CID 28820660) has the molecular formula C7H4BrFN2 and a molecular weight of 215.03 g/mol. Its IUPAC name is 4-amino-3-bromo-5-fluorobenzonitrile.

Molecular Properties

Compound Name4-amino-3-bromo-5-fluorobenzonitrile
PubChem CID28820660
Molecular FormulaC7H4BrFN2
Molecular Weight215.03 g/mol
Exact Mass213.95
IUPAC Name4-amino-3-bromo-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(N)c(Br)c1
InChIInChI=1S/C7H4BrFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKeyJAEADHWFVOCKED-UHFFFAOYSA-N
XLogP2.04
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-3-bromo-5-fluorobenzonitrile
CID 171014445
3-amino-5-bromo-4-(trifluoromethyl)benzonitrile
CID 130849030
4-[(1R)-1-aminoethyl]-3,5-difluorobenzonitrile
CID 55292784
3-bromo-4-fluoro-5-hydroxybenzonitrile
CID 131117980
2-amino-3-bromo-4,6-difluorobenzonitrile
CID 102742071
4-(5-amino-2-bromophenoxy)-3,5-difluorobenzonitrile
CID 103011501
3-bromo-7-fluoro-1-benzothiophene-5-carbonitrile
CID 130969442
4-chloro-3,5-difluorobenzonitrile
CID 19612372
4-amino-3,5-di(propan-2-yl)benzonitrile;4-bromo-3,5-di(propan-2-yl)benzonitrile
CID 163443828
3-(bromomethyl)-4,5-difluorobenzonitrile
CID 131211654
4-amino-3-fluorobenzonitrile;methane
CID 174516091
5-amino-4-bromo-2-fluorobenzonitrile
CID 53415061

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-fluorobenzonitrile?
The IUPAC name of 4-amino-3-bromo-5-fluorobenzonitrile (CID 28820660) is 4-amino-3-bromo-5-fluorobenzonitrile.
What is the SMILES notation for 4-amino-3-bromo-5-fluorobenzonitrile?
The canonical SMILES for 4-amino-3-bromo-5-fluorobenzonitrile is N#Cc1cc(F)c(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-5-fluorobenzonitrile?
The InChIKey is JAEADHWFVOCKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2.
What are the key properties of 4-amino-3-bromo-5-fluorobenzonitrile?
4-amino-3-bromo-5-fluorobenzonitrile has a molecular weight of 215.03 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-fluorobenzonitrile is sourced from PubChem (CID 28820660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).