2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene

C7H2ClF3N4O2 — CID 152639889

IUPAC2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H2ClF3N4O2/c8-4-1-3(7(9,10)11)2-5(15(16)17)6(4)13-14-12/h1-2H
InChIKeyZFIBFCUKKGIIMM-UHFFFAOYSA-N
MW266.57 g/mol
LogP4.21
Rot. Bonds2

About 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene

2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene (PubChem CID 152639889) has the molecular formula C7H2ClF3N4O2 and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
PubChem CID152639889
Molecular FormulaC7H2ClF3N4O2
Molecular Weight266.57 g/mol
Exact Mass265.98
IUPAC Name2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H2ClF3N4O2/c8-4-1-3(7(9,10)11)2-5(15(16)17)6(4)13-14-12/h1-2H
InChIKeyZFIBFCUKKGIIMM-UHFFFAOYSA-N
XLogP4.21
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 54.21
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

3-chloro-2-nitro-5-(trifluoromethyl)benzenethiol
CID 171007443
2,2-dichloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride
CID 139900925
2,2-dichloro-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-fluoroethanimidamide
CID 22617187
1-azido-4-tert-butyl-2-nitrobenzene
CID 151434378
1-azido-2-chloro-5-fluoro-4-nitrobenzene
CID 151628176
2-azido-4-chloro-5-nitrophenol
CID 151690041
3-bromo-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidoyl chloride
CID 139900916
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
2-azido-1,3,5-tris(trifluoromethyl)benzene
CID 154016237
2-iodo-1,3-dinitro-5-(trifluoromethyl)benzene
CID 141165200
2-azido-1,3-dichloro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)benzene
CID 86675636
2,2-dibromo-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-fluoroethanimidamide
CID 15906757

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene (CID 152639889) is 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene is [N-]=[N+]=Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene?
The InChIKey is ZFIBFCUKKGIIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N4O2/c8-4-1-3(7(9,10)11)2-5(15(16)17)6(4)13-14-12/h1-2H.
What are the key properties of 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene?
2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene has a molecular weight of 266.57 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 152639889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).