2-azido-1,3-dichloro-4-nitrobenzene

C6H2Cl2N4O2 — CID 151668211

IUPAC2-azido-1,3-dichloro-4-nitrobenzene
SMILES[N-]=[N+]=Nc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C6H2Cl2N4O2/c7-3-1-2-4(12(13)14)5(8)6(3)10-11-9/h1-2H
InChIKeyQXYYXDLNBKZRNN-UHFFFAOYSA-N
MW233.01 g/mol
LogP3.84
Rot. Bonds2

About 2-azido-1,3-dichloro-4-nitrobenzene

2-azido-1,3-dichloro-4-nitrobenzene (PubChem CID 151668211) has the molecular formula C6H2Cl2N4O2 and a molecular weight of 233.01 g/mol. Its IUPAC name is 2-azido-1,3-dichloro-4-nitrobenzene.

Molecular Properties

Compound Name2-azido-1,3-dichloro-4-nitrobenzene
PubChem CID151668211
Molecular FormulaC6H2Cl2N4O2
Molecular Weight233.01 g/mol
Exact Mass231.96
IUPAC Name2-azido-1,3-dichloro-4-nitrobenzene
SMILES[N-]=[N+]=Nc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C6H2Cl2N4O2/c7-3-1-2-4(12(13)14)5(8)6(3)10-11-9/h1-2H
InChIKeyQXYYXDLNBKZRNN-UHFFFAOYSA-N
XLogP3.84
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-azido-2-chloro-5-fluoro-4-nitrobenzene
CID 151628176
2-azido-3-nitrobenzoic acid
CID 136655529
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
4-azido-2-methyl-1-nitrobenzene
CID 80583441
4-azido-2-fluoro-1-nitrobenzene
CID 15088119
4-chloro-3-nitrobenzoyl azide
CID 133188482
N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine
CID 142555313
4-azido-3-nitroquinoline
CID 112704025
1-azido-4-tert-butyl-2-nitrobenzene
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2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-dichloro-4-nitrobenzene?
The IUPAC name of 2-azido-1,3-dichloro-4-nitrobenzene (CID 151668211) is 2-azido-1,3-dichloro-4-nitrobenzene.
What is the SMILES notation for 2-azido-1,3-dichloro-4-nitrobenzene?
The canonical SMILES for 2-azido-1,3-dichloro-4-nitrobenzene is [N-]=[N+]=Nc1c(Cl)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-azido-1,3-dichloro-4-nitrobenzene?
The InChIKey is QXYYXDLNBKZRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N4O2/c7-3-1-2-4(12(13)14)5(8)6(3)10-11-9/h1-2H.
What are the key properties of 2-azido-1,3-dichloro-4-nitrobenzene?
2-azido-1,3-dichloro-4-nitrobenzene has a molecular weight of 233.01 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-dichloro-4-nitrobenzene is sourced from PubChem (CID 151668211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).