1-azido-4-methoxy-2,3-dinitrobenzene

C7H5N5O5 — CID 150548251

IUPAC1-azido-4-methoxy-2,3-dinitrobenzene
SMILESCOc1ccc(N=[N+]=[N-])c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H5N5O5/c1-17-5-3-2-4(9-10-8)6(11(13)14)7(5)12(15)16/h2-3H,1H3
InChIKeyIHHZJRJNVRJGNF-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.45
Rot. Bonds4

About 1-azido-4-methoxy-2,3-dinitrobenzene

1-azido-4-methoxy-2,3-dinitrobenzene (PubChem CID 150548251) has the molecular formula C7H5N5O5 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-azido-4-methoxy-2,3-dinitrobenzene.

Molecular Properties

Compound Name1-azido-4-methoxy-2,3-dinitrobenzene
PubChem CID150548251
Molecular FormulaC7H5N5O5
Molecular Weight239.15 g/mol
Exact Mass239.03
IUPAC Name1-azido-4-methoxy-2,3-dinitrobenzene
SMILESCOc1ccc(N=[N+]=[N-])c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H5N5O5/c1-17-5-3-2-4(9-10-8)6(11(13)14)7(5)12(15)16/h2-3H,1H3
InChIKeyIHHZJRJNVRJGNF-UHFFFAOYSA-N
XLogP2.45
TPSA144.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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CID 152671087
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CID 151318630
8-azido-7-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocine
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2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
1-azido-4-tert-butyl-2-nitrobenzene
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(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
CID 168531252
1,5-diazido-2,3,4-trinitrobenzene;1,2-diazido-3-(trinitromethoxy)benzene
CID 158773848
5-methoxy-4-nitro-2,1,3-benzoselenadiazole
CID 11065092
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
N-diazo-2-methoxy-5-nitrobenzenesulfonamide
CID 43286701
5-azido-2-methoxybenzaldehyde
CID 54764214

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-methoxy-2,3-dinitrobenzene?
The IUPAC name of 1-azido-4-methoxy-2,3-dinitrobenzene (CID 150548251) is 1-azido-4-methoxy-2,3-dinitrobenzene.
What is the SMILES notation for 1-azido-4-methoxy-2,3-dinitrobenzene?
The canonical SMILES for 1-azido-4-methoxy-2,3-dinitrobenzene is COc1ccc(N=[N+]=[N-])c([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 1-azido-4-methoxy-2,3-dinitrobenzene?
The InChIKey is IHHZJRJNVRJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O5/c1-17-5-3-2-4(9-10-8)6(11(13)14)7(5)12(15)16/h2-3H,1H3.
What are the key properties of 1-azido-4-methoxy-2,3-dinitrobenzene?
1-azido-4-methoxy-2,3-dinitrobenzene has a molecular weight of 239.15 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-methoxy-2,3-dinitrobenzene is sourced from PubChem (CID 150548251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).