2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline

C8H8BrClN2O2 — CID 50879556

IUPAC2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline
SMILESCN(C)c1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrClN2O2/c1-11(2)8-6(9)3-5(10)4-7(8)12(13)14/h3-4H,1-2H3
InChIKeyMCBGORSOAWTADL-UHFFFAOYSA-N
MW279.52 g/mol
LogP3.08
Rot. Bonds2

About 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline

2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline (PubChem CID 50879556) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline
PubChem CID50879556
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC Name2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline
SMILESCN(C)c1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrClN2O2/c1-11(2)8-6(9)3-5(10)4-7(8)12(13)14/h3-4H,1-2H3
InChIKeyMCBGORSOAWTADL-UHFFFAOYSA-N
XLogP3.08
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
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-bromo-4-chloro-N,N-diethyl-6-nitroaniline
CID 50879567
N-(2,6-dibromo-4-chlorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
CID 13218729
2-bromo-4-chloro-1-N,1-N-dimethyl-6-nitrobenzene-1,3-diamine
CID 50881297
2-bromo-4-chloro-N-ethyl-6-nitroaniline
CID 134174808
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
N-[(2-bromo-4-chloro-6-nitrophenyl)methyl]ethanamine
CID 171606394
N-(2-bromo-4-chloro-6-nitrophenyl)formamide
CID 168651183
4-chloro-2,6-dinitrophenolate
CID 36690453
(2-bromo-4-chloro-6-nitrophenyl)thiourea
CID 169356003
methyl 2-(2-bromo-4-chloro-6-nitroanilino)acetate
CID 134180396
N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide
CID 155559598
4-bromo-N,N,2-trimethyl-5-nitroaniline
CID 118834303

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline?
The IUPAC name of 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline (CID 50879556) is 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline.
What is the SMILES notation for 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline?
The canonical SMILES for 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline is CN(C)c1c(Br)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline?
The InChIKey is MCBGORSOAWTADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c1-11(2)8-6(9)3-5(10)4-7(8)12(13)14/h3-4H,1-2H3.
What are the key properties of 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline?
2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline has a molecular weight of 279.52 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline is sourced from PubChem (CID 50879556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).