2-bromo-6-methoxy-4-nitroaniline

C7H7BrN2O3 — CID 7099118

IUPAC2-bromo-6-methoxy-4-nitroaniline
SMILESCOc1cc([N+](=O)[O-])cc(Br)c1N
InChIInChI=1S/C7H7BrN2O3/c1-13-6-3-4(10(11)12)2-5(8)7(6)9/h2-3H,9H2,1H3
InChIKeyQYLWEPIKPMUYAW-UHFFFAOYSA-N
MW247.05 g/mol
LogP1.95
Rot. Bonds2

About 2-bromo-6-methoxy-4-nitroaniline

2-bromo-6-methoxy-4-nitroaniline (PubChem CID 7099118) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-nitroaniline.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-nitroaniline
PubChem CID7099118
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name2-bromo-6-methoxy-4-nitroaniline
SMILESCOc1cc([N+](=O)[O-])cc(Br)c1N
InChIInChI=1S/C7H7BrN2O3/c1-13-6-3-4(10(11)12)2-5(8)7(6)9/h2-3H,9H2,1H3
InChIKeyQYLWEPIKPMUYAW-UHFFFAOYSA-N
XLogP1.95
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methoxy-5-nitrobenzenethiol
CID 71345154
(2-bromo-6-methoxy-4-nitrophenyl)methanamine
CID 171019721
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
2-bromo-4,6-dinitroaniline;sulfuric acid
CID 174616182
1-bromo-3-(chloromethyl)-2-methoxy-5-nitrobenzene
CID 171007712
1-(2-bromo-6-methoxy-4-nitrophenyl)-4-ethylpiperazine
CID 50879452
4-nitro-2,6-dipropoxyaniline
CID 54333696
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
aniline;2-methoxy-4-nitroaniline
CID 154966148
2-amino-3-bromo-N-(3-methoxypropyl)-5-nitrobenzenesulfonamide
CID 54201311
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-nitroaniline
CID 83136857
methyl 2-amino-4-bromo-6-methoxy-3-nitrobenzoate
CID 86648221

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-nitroaniline?
The IUPAC name of 2-bromo-6-methoxy-4-nitroaniline (CID 7099118) is 2-bromo-6-methoxy-4-nitroaniline.
What is the SMILES notation for 2-bromo-6-methoxy-4-nitroaniline?
The canonical SMILES for 2-bromo-6-methoxy-4-nitroaniline is COc1cc([N+](=O)[O-])cc(Br)c1N.
What is the InChIKey of 2-bromo-6-methoxy-4-nitroaniline?
The InChIKey is QYLWEPIKPMUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-13-6-3-4(10(11)12)2-5(8)7(6)9/h2-3H,9H2,1H3.
What are the key properties of 2-bromo-6-methoxy-4-nitroaniline?
2-bromo-6-methoxy-4-nitroaniline has a molecular weight of 247.05 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-nitroaniline is sourced from PubChem (CID 7099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).