4-chloro-3-nitrobenzoyl azide

C7H3ClN4O3 — CID 133188482

IUPAC4-chloro-3-nitrobenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H3ClN4O3/c8-5-2-1-4(7(13)10-11-9)3-6(5)12(14)15/h1-3H
InChIKeyUOCIYAIVZBRXIF-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.70
Rot. Bonds2

About 4-chloro-3-nitrobenzoyl azide

4-chloro-3-nitrobenzoyl azide (PubChem CID 133188482) has the molecular formula C7H3ClN4O3 and a molecular weight of 226.58 g/mol. Its IUPAC name is 4-chloro-3-nitrobenzoyl azide.

Molecular Properties

Compound Name4-chloro-3-nitrobenzoyl azide
PubChem CID133188482
Molecular FormulaC7H3ClN4O3
Molecular Weight226.58 g/mol
Exact Mass225.99
IUPAC Name4-chloro-3-nitrobenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H3ClN4O3/c8-5-2-1-4(7(13)10-11-9)3-6(5)12(14)15/h1-3H
InChIKeyUOCIYAIVZBRXIF-UHFFFAOYSA-N
XLogP2.70
TPSA108.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.70
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

4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-chloro-4-propan-2-ylbenzoyl azide
CID 142945674
1-(4-chloro-3-nitrophenyl)-2-(dimethylamino)ethanone
CID 170895974
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-(4-chloro-3-nitrophenyl)-2-methyl-4-oxobut-2-enoic acid
CID 172714776
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
(4-chloro-3-nitrophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877647
4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide
CID 923562

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitrobenzoyl azide?
The IUPAC name of 4-chloro-3-nitrobenzoyl azide (CID 133188482) is 4-chloro-3-nitrobenzoyl azide.
What is the SMILES notation for 4-chloro-3-nitrobenzoyl azide?
The canonical SMILES for 4-chloro-3-nitrobenzoyl azide is [N-]=[N+]=NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitrobenzoyl azide?
The InChIKey is UOCIYAIVZBRXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4O3/c8-5-2-1-4(7(13)10-11-9)3-6(5)12(14)15/h1-3H.
What are the key properties of 4-chloro-3-nitrobenzoyl azide?
4-chloro-3-nitrobenzoyl azide has a molecular weight of 226.58 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitrobenzoyl azide is sourced from PubChem (CID 133188482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).