2-(2-azidoethoxy)-1-chloro-4-nitrobenzene

C8H7ClN4O3 — CID 63990768

IUPAC2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
SMILES[N-]=[N+]=NCCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H7ClN4O3/c9-7-2-1-6(13(14)15)5-8(7)16-4-3-11-12-10/h1-2,5H,3-4H2
InChIKeyBWEJAZWJYYHRKZ-UHFFFAOYSA-N
MW242.62 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene

2-(2-azidoethoxy)-1-chloro-4-nitrobenzene (PubChem CID 63990768) has the molecular formula C8H7ClN4O3 and a molecular weight of 242.62 g/mol. Its IUPAC name is 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene.

Molecular Properties

Compound Name2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
PubChem CID63990768
Molecular FormulaC8H7ClN4O3
Molecular Weight242.62 g/mol
Exact Mass242.02
IUPAC Name2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
SMILES[N-]=[N+]=NCCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H7ClN4O3/c9-7-2-1-6(13(14)15)5-8(7)16-4-3-11-12-10/h1-2,5H,3-4H2
InChIKeyBWEJAZWJYYHRKZ-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

2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
2-(2-azidoethoxy)-5-nitropyridine
CID 59667929
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784
1-chloro-4-nitro-2-(4,4,4-trifluorobutoxy)benzene
CID 115519762
2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
CID 63990575
1-chloro-2-[3-(2-methoxyethoxy)propoxy]-4-nitrobenzene
CID 103415777
2-(2-azidoethoxy)-1-chloro-3-nitrobenzene
CID 107718111
ethyl 2-amino-4-(2-chloro-5-nitrophenoxy)butanoate
CID 63990596
4-(2-azidoethoxy)-1,2-dichlorobenzene
CID 61397043
methyl 2-amino-4-(2-chloro-5-nitrophenoxy)-2-methylbutanoate
CID 63992972
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene?
The IUPAC name of 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene (CID 63990768) is 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene.
What is the SMILES notation for 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene?
The canonical SMILES for 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene is [N-]=[N+]=NCCOc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene?
The InChIKey is BWEJAZWJYYHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O3/c9-7-2-1-6(13(14)15)5-8(7)16-4-3-11-12-10/h1-2,5H,3-4H2.
What are the key properties of 2-(2-azidoethoxy)-1-chloro-4-nitrobenzene?
2-(2-azidoethoxy)-1-chloro-4-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-4-nitrobenzene is sourced from PubChem (CID 63990768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).