3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride

C8H7BrClFN2 — CID 88874845

IUPAC3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(F)ccc(Br)c1NC
InChIInChI=1S/C8H7BrClFN2/c1-13-7-4(9)2-3-5(11)6(7)8(10)12/h2-3,12-13H,1H3/b12-8-
InChIKeyCZLDJCNTMJECLF-WQLSENKSSA-N
MW265.51 g/mol
LogP3.19
Rot. Bonds2

About 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride

3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride (PubChem CID 88874845) has the molecular formula C8H7BrClFN2 and a molecular weight of 265.51 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride
PubChem CID88874845
Molecular FormulaC8H7BrClFN2
Molecular Weight265.51 g/mol
Exact Mass263.95
IUPAC Name3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(F)ccc(Br)c1NC
InChIInChI=1S/C8H7BrClFN2/c1-13-7-4(9)2-3-5(11)6(7)8(10)12/h2-3,12-13H,1H3/b12-8-
InChIKeyCZLDJCNTMJECLF-WQLSENKSSA-N
XLogP3.19
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride 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-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride?
The IUPAC name of 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride (CID 88874845) is 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride.
What is the SMILES notation for 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride?
The canonical SMILES for 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride is [H]/N=C(\Cl)c1c(F)ccc(Br)c1NC.
What is the InChIKey of 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride?
The InChIKey is CZLDJCNTMJECLF-WQLSENKSSA-N. The full InChI is InChI=1S/C8H7BrClFN2/c1-13-7-4(9)2-3-5(11)6(7)8(10)12/h2-3,12-13H,1H3/b12-8-.
What are the key properties of 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride?
3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride has a molecular weight of 265.51 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride is sourced from PubChem (CID 88874845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).