3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine

C14H10Br2F2N2 — CID 157132448

IUPAC3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine
SMILESN#Cc1cc(F)cc(Br)c1.NCc1cc(F)cc(Br)c1
InChIInChI=1S/C7H7BrFN.C7H3BrFN/c2*8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2;1-3H
InChIKeyAJFPJGAVHMEGGJ-UHFFFAOYSA-N
MW404.05 g/mol
LogP4.51
Rot. Bonds1

About 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine

3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine (PubChem CID 157132448) has the molecular formula C14H10Br2F2N2 and a molecular weight of 404.05 g/mol. Its IUPAC name is 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine.

Molecular Properties

Compound Name3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine
PubChem CID157132448
Molecular FormulaC14H10Br2F2N2
Molecular Weight404.05 g/mol
Exact Mass401.92
IUPAC Name3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine
SMILESN#Cc1cc(F)cc(Br)c1.NCc1cc(F)cc(Br)c1
InChIInChI=1S/C7H7BrFN.C7H3BrFN/c2*8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2;1-3H
InChIKeyAJFPJGAVHMEGGJ-UHFFFAOYSA-N
XLogP4.51
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine?
The IUPAC name of 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine (CID 157132448) is 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine.
What is the SMILES notation for 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine?
The canonical SMILES for 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine is N#Cc1cc(F)cc(Br)c1.NCc1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine?
The InChIKey is AJFPJGAVHMEGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN.C7H3BrFN/c2*8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2;1-3H.
What are the key properties of 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine?
3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine has a molecular weight of 404.05 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine is sourced from PubChem (CID 157132448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).