2,6-dibromo-N-methyl-4-nitroaniline

C7H6Br2N2O2 — CID 67155784

IUPAC2,6-dibromo-N-methyl-4-nitroaniline
SMILESCNc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C7H6Br2N2O2/c1-10-7-5(8)2-4(11(12)13)3-6(7)9/h2-3,10H,1H3
InChIKeyWSFRIZIMPVAHRT-UHFFFAOYSA-N
MW309.95 g/mol
LogP3.16
Rot. Bonds2

About 2,6-dibromo-N-methyl-4-nitroaniline

2,6-dibromo-N-methyl-4-nitroaniline (PubChem CID 67155784) has the molecular formula C7H6Br2N2O2 and a molecular weight of 309.95 g/mol. Its IUPAC name is 2,6-dibromo-N-methyl-4-nitroaniline.

Molecular Properties

Compound Name2,6-dibromo-N-methyl-4-nitroaniline
PubChem CID67155784
Molecular FormulaC7H6Br2N2O2
Molecular Weight309.95 g/mol
Exact Mass307.88
IUPAC Name2,6-dibromo-N-methyl-4-nitroaniline
SMILESCNc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C7H6Br2N2O2/c1-10-7-5(8)2-4(11(12)13)3-6(7)9/h2-3,10H,1H3
InChIKeyWSFRIZIMPVAHRT-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 53.16
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

(2,6-dibromo-4-nitrophenyl)thiourea
CID 3776125
2-bromo-4-fluoro-N-methyl-6-nitroaniline
CID 119017200
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
CID 3630388
2,6-dibromo-N-(chloromethoxymethyl)-4-nitroaniline
CID 5047509
4-bromo-N-methyl-2-nitro-5,6,7,8-tetrahydronaphthalen-1-amine;hydrochloride
CID 67802248
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753
[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] propanoate
CID 7851463
2-bromo-N-cyclohexyl-6-ethyl-4-nitroaniline
CID 91681157
6-bromo-3-fluoro-N-methyl-2-nitroaniline
CID 164567208
2-(2-bromo-6-fluoro-4-nitroanilino)propane-1,3-diol
CID 71996045

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-methyl-4-nitroaniline?
The IUPAC name of 2,6-dibromo-N-methyl-4-nitroaniline (CID 67155784) is 2,6-dibromo-N-methyl-4-nitroaniline.
What is the SMILES notation for 2,6-dibromo-N-methyl-4-nitroaniline?
The canonical SMILES for 2,6-dibromo-N-methyl-4-nitroaniline is CNc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2,6-dibromo-N-methyl-4-nitroaniline?
The InChIKey is WSFRIZIMPVAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O2/c1-10-7-5(8)2-4(11(12)13)3-6(7)9/h2-3,10H,1H3.
What are the key properties of 2,6-dibromo-N-methyl-4-nitroaniline?
2,6-dibromo-N-methyl-4-nitroaniline has a molecular weight of 309.95 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-methyl-4-nitroaniline is sourced from PubChem (CID 67155784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).