2-bromo-4-chloro-N-ethyl-6-nitroaniline

C8H8BrClN2O2 — CID 134174808

IUPAC2-bromo-4-chloro-N-ethyl-6-nitroaniline
SMILESCCNc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrClN2O2/c1-2-11-8-6(9)3-5(10)4-7(8)12(13)14/h3-4,11H,2H2,1H3
InChIKeyYACAYYPLGYBNCQ-UHFFFAOYSA-N
MW279.52 g/mol
LogP3.44
Rot. Bonds3

About 2-bromo-4-chloro-N-ethyl-6-nitroaniline

2-bromo-4-chloro-N-ethyl-6-nitroaniline (PubChem CID 134174808) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-ethyl-6-nitroaniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-ethyl-6-nitroaniline
PubChem CID134174808
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC Name2-bromo-4-chloro-N-ethyl-6-nitroaniline
SMILESCCNc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrClN2O2/c1-2-11-8-6(9)3-5(10)4-7(8)12(13)14/h3-4,11H,2H2,1H3
InChIKeyYACAYYPLGYBNCQ-UHFFFAOYSA-N
XLogP3.44
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 53.44
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

methyl 2-(2-bromo-4-chloro-6-nitroanilino)acetate
CID 134180396
N-(2-bromo-4-chloro-6-nitrophenyl)formamide
CID 168651183
N-[(2-bromo-4-chloro-6-nitrophenyl)methyl]ethanamine
CID 171606394
(2-bromo-4-chloro-6-nitrophenyl)thiourea
CID 169356003
2-(4-chloro-2,6-dinitroanilino)ethyl-diethylazanium
CID 7201275
2-bromo-4-chloro-N,N-diethyl-6-nitroaniline
CID 50879567
5-chloro-N-ethyl-2-methoxy-3-nitroaniline
CID 96709795
2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline
CID 50879556
3-(2-bromo-4-chloro-6-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 66357862
1-(2-bromo-4-chloro-6-nitrophenoxy)-3-(ethylamino)propan-2-ol
CID 43379235
3-bromo-5-nitro-4-(propylamino)benzamide
CID 147751999
N-ethyl-2,4,6-trinitropyridin-3-amine
CID 71424145

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-ethyl-6-nitroaniline?
The IUPAC name of 2-bromo-4-chloro-N-ethyl-6-nitroaniline (CID 134174808) is 2-bromo-4-chloro-N-ethyl-6-nitroaniline.
What is the SMILES notation for 2-bromo-4-chloro-N-ethyl-6-nitroaniline?
The canonical SMILES for 2-bromo-4-chloro-N-ethyl-6-nitroaniline is CCNc1c(Br)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-4-chloro-N-ethyl-6-nitroaniline?
The InChIKey is YACAYYPLGYBNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c1-2-11-8-6(9)3-5(10)4-7(8)12(13)14/h3-4,11H,2H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-ethyl-6-nitroaniline?
2-bromo-4-chloro-N-ethyl-6-nitroaniline has a molecular weight of 279.52 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-ethyl-6-nitroaniline is sourced from PubChem (CID 134174808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).