6-bromo-3-fluoro-N-methyl-2-nitroaniline

C7H6BrFN2O2 — CID 164567208

IUPAC6-bromo-3-fluoro-N-methyl-2-nitroaniline
SMILESCNc1c(Br)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-10-6-4(8)2-3-5(9)7(6)11(12)13/h2-3,10H,1H3
InChIKeyXNKGIPTWMACCQW-UHFFFAOYSA-N
MW249.04 g/mol
LogP2.54
Rot. Bonds2

About 6-bromo-3-fluoro-N-methyl-2-nitroaniline

6-bromo-3-fluoro-N-methyl-2-nitroaniline (PubChem CID 164567208) has the molecular formula C7H6BrFN2O2 and a molecular weight of 249.04 g/mol. Its IUPAC name is 6-bromo-3-fluoro-N-methyl-2-nitroaniline.

Molecular Properties

Compound Name6-bromo-3-fluoro-N-methyl-2-nitroaniline
PubChem CID164567208
Molecular FormulaC7H6BrFN2O2
Molecular Weight249.04 g/mol
Exact Mass247.96
IUPAC Name6-bromo-3-fluoro-N-methyl-2-nitroaniline
SMILESCNc1c(Br)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-10-6-4(8)2-3-5(9)7(6)11(12)13/h2-3,10H,1H3
InChIKeyXNKGIPTWMACCQW-UHFFFAOYSA-N
XLogP2.54
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-3-fluoro-N-methyl-2-nitroaniline 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

3-fluoro-N,6-dimethyl-2-nitroaniline
CID 130936724
4-bromo-3-fluoro-N-methyl-2-nitroaniline;3-fluoro-N-methyl-2-nitroaniline
CID 155047884
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
1-(3-bromo-6-fluoro-2-nitrophenyl)ethanone
CID 130895586
3-N-(4-bromo-3-fluorophenyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80842400
5-bromo-2-chloro-N-methyl-3-nitropyridin-4-amine
CID 118990099
2-bromo-4-fluoro-N-methyl-6-nitroaniline
CID 119017200
3-N-(4-bromo-2,6-difluorophenyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80828041
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
1-bromo-4-fluoro-2-isocyanato-3-nitrobenzene
CID 169355686
1-bromo-2-(difluoromethoxy)-4-fluoro-3-nitrobenzene
CID 118841609

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-N-methyl-2-nitroaniline?
The IUPAC name of 6-bromo-3-fluoro-N-methyl-2-nitroaniline (CID 164567208) is 6-bromo-3-fluoro-N-methyl-2-nitroaniline.
What is the SMILES notation for 6-bromo-3-fluoro-N-methyl-2-nitroaniline?
The canonical SMILES for 6-bromo-3-fluoro-N-methyl-2-nitroaniline is CNc1c(Br)ccc(F)c1[N+](=O)[O-].
What is the InChIKey of 6-bromo-3-fluoro-N-methyl-2-nitroaniline?
The InChIKey is XNKGIPTWMACCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2/c1-10-6-4(8)2-3-5(9)7(6)11(12)13/h2-3,10H,1H3.
What are the key properties of 6-bromo-3-fluoro-N-methyl-2-nitroaniline?
6-bromo-3-fluoro-N-methyl-2-nitroaniline has a molecular weight of 249.04 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-N-methyl-2-nitroaniline is sourced from PubChem (CID 164567208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).