2-(2-azidoethoxy)-1-chloro-3-nitrobenzene

C8H7ClN4O3 — CID 107718111

IUPAC2-(2-azidoethoxy)-1-chloro-3-nitrobenzene
SMILES[N-]=[N+]=NCCOc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN4O3/c9-6-2-1-3-7(13(14)15)8(6)16-5-4-11-12-10/h1-3H,4-5H2
InChIKeyAICUDRVLKCEJOJ-UHFFFAOYSA-N
MW242.62 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene

2-(2-azidoethoxy)-1-chloro-3-nitrobenzene (PubChem CID 107718111) has the molecular formula C8H7ClN4O3 and a molecular weight of 242.62 g/mol. Its IUPAC name is 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene.

Molecular Properties

Compound Name2-(2-azidoethoxy)-1-chloro-3-nitrobenzene
PubChem CID107718111
Molecular FormulaC8H7ClN4O3
Molecular Weight242.62 g/mol
Exact Mass242.02
IUPAC Name2-(2-azidoethoxy)-1-chloro-3-nitrobenzene
SMILES[N-]=[N+]=NCCOc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN4O3/c9-6-2-1-3-7(13(14)15)8(6)16-5-4-11-12-10/h1-3H,4-5H2
InChIKeyAICUDRVLKCEJOJ-UHFFFAOYSA-N
XLogP2.94
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
3-[(2-chloro-6-nitrophenoxy)methyl]pentan-3-ol
CID 103931748
2-amino-4-(2-chloro-6-nitrophenoxy)-2-methylbutanoic acid
CID 107718459
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 107718329
4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide
CID 107718608
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
CID 7789050
3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 107718707
1-(2-chloro-6-nitrophenoxy)-3-methylpentan-2-one
CID 103864101
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
CID 103764433

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene?
The IUPAC name of 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene (CID 107718111) is 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene.
What is the SMILES notation for 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene?
The canonical SMILES for 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene is [N-]=[N+]=NCCOc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene?
The InChIKey is AICUDRVLKCEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O3/c9-6-2-1-3-7(13(14)15)8(6)16-5-4-11-12-10/h1-3H,4-5H2.
What are the key properties of 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene?
2-(2-azidoethoxy)-1-chloro-3-nitrobenzene has a molecular weight of 242.62 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)-1-chloro-3-nitrobenzene is sourced from PubChem (CID 107718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).