2-bromo-4-fluoro-N-methyl-6-nitroaniline

C7H6BrFN2O2 — CID 119017200

IUPAC2-bromo-4-fluoro-N-methyl-6-nitroaniline
SMILESCNc1c(Br)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-10-7-5(8)2-4(9)3-6(7)11(12)13/h2-3,10H,1H3
InChIKeySRIAGXAZQFWSEI-UHFFFAOYSA-N
MW249.04 g/mol
LogP2.54
Rot. Bonds2

About 2-bromo-4-fluoro-N-methyl-6-nitroaniline

2-bromo-4-fluoro-N-methyl-6-nitroaniline (PubChem CID 119017200) has the molecular formula C7H6BrFN2O2 and a molecular weight of 249.04 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-6-nitroaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-6-nitroaniline
PubChem CID119017200
Molecular FormulaC7H6BrFN2O2
Molecular Weight249.04 g/mol
Exact Mass247.96
IUPAC Name2-bromo-4-fluoro-N-methyl-6-nitroaniline
SMILESCNc1c(Br)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-10-7-5(8)2-4(9)3-6(7)11(12)13/h2-3,10H,1H3
InChIKeySRIAGXAZQFWSEI-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'}

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Related Compounds

1-bromo-2-(difluoromethyl)-5-fluoro-3-nitrobenzene
CID 119024136
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
[3-(2-bromo-4-fluoro-6-nitroanilino)-2-hydroxypropyl]carbamic acid
CID 176670335
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617728
N-[1-(4-bromophenyl)ethyl]-2,4-difluoro-6-nitroaniline
CID 81304103
4-bromo-N-methyl-2-nitro-5,6,7,8-tetrahydronaphthalen-1-amine;hydrochloride
CID 67802248
2-bromo-4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-6-nitroaniline
CID 121355017
6-bromo-3-fluoro-N-methyl-2-nitroaniline
CID 164567208
2-bromo-4,6-difluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443621
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142
N,2,4-trimethyl-6-nitroaniline
CID 10583519
N-[2-(2-bromo-4-fluoro-6-nitrophenoxy)ethyl]propan-2-amine
CID 43379417

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-6-nitroaniline?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-6-nitroaniline (CID 119017200) is 2-bromo-4-fluoro-N-methyl-6-nitroaniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-6-nitroaniline?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-6-nitroaniline is CNc1c(Br)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-6-nitroaniline?
The InChIKey is SRIAGXAZQFWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2/c1-10-7-5(8)2-4(9)3-6(7)11(12)13/h2-3,10H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-6-nitroaniline?
2-bromo-4-fluoro-N-methyl-6-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 2-bromo-4-fluoro-N-methyl-6-nitroaniline is sourced from PubChem (CID 119017200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).