4-bromo-2,3-dimethyl-6-nitroaniline

C8H9BrN2O2 — CID 2774619

IUPAC4-bromo-2,3-dimethyl-6-nitroaniline
SMILESCc1c(Br)cc([N+](=O)[O-])c(N)c1C
InChIInChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,10H2,1-2H3
InChIKeyXRYVCCUUPIZPMI-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.56
Rot. Bonds1

About 4-bromo-2,3-dimethyl-6-nitroaniline

4-bromo-2,3-dimethyl-6-nitroaniline (PubChem CID 2774619) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 4-bromo-2,3-dimethyl-6-nitroaniline.

Molecular Properties

Compound Name4-bromo-2,3-dimethyl-6-nitroaniline
PubChem CID2774619
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name4-bromo-2,3-dimethyl-6-nitroaniline
SMILESCc1c(Br)cc([N+](=O)[O-])c(N)c1C
InChIInChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,10H2,1-2H3
InChIKeyXRYVCCUUPIZPMI-UHFFFAOYSA-N
XLogP2.56
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-Bromo-4-methyl-6-nitroaniline
CID 2775306
4-Bromo-2-methyl-6-nitroaniline
CID 522679
3-Bromo-1,2,4-trimethyl-5-nitrobenzene
CID 321408
4-Amino-2-bromo-5-nitrobenzonitrile
CID 121229215
4-Bromo-2-nitro-6-(trifluoromethyl)aniline
CID 10850672
4-Bromo-3-methyl-2-nitroaniline
CID 23515038
2-Bromo-3,4-dimethyl-6-nitroaniline
CID 50998217
4-Bromo-3,6-dimethyl-2-nitroaniline
CID 92270276
1-Bromo-2-methyl-3,4-dinitrobenzene
CID 15889633
3-Bromo-4-methyl-2-nitroaniline
CID 91647466
4-Bromo-2-nitro-5-(trifluoromethyl)aniline
CID 11694872
4-Bromo-3-fluoro-2-methyl-6-nitroaniline
CID 24213760

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dimethyl-6-nitroaniline?
The IUPAC name of 4-bromo-2,3-dimethyl-6-nitroaniline (CID 2774619) is 4-bromo-2,3-dimethyl-6-nitroaniline.
What is the SMILES notation for 4-bromo-2,3-dimethyl-6-nitroaniline?
The canonical SMILES for 4-bromo-2,3-dimethyl-6-nitroaniline is Cc1c(Br)cc([N+](=O)[O-])c(N)c1C.
What is the InChIKey of 4-bromo-2,3-dimethyl-6-nitroaniline?
The InChIKey is XRYVCCUUPIZPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,10H2,1-2H3.
What are the key properties of 4-bromo-2,3-dimethyl-6-nitroaniline?
4-bromo-2,3-dimethyl-6-nitroaniline has a molecular weight of 245.08 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dimethyl-6-nitroaniline is sourced from PubChem (CID 2774619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).