2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole

C8H3BrClN3O3 — CID 114770827

IUPAC2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(Br)cc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C8H3BrClN3O3/c9-5-1-4(2-6(3-5)13(14)15)7-11-12-8(10)16-7/h1-3H
InChIKeyCWGDSLMDHWOPDZ-UHFFFAOYSA-N
MW304.49 g/mol
LogP3.06
Rot. Bonds2

About 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole

2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole (PubChem CID 114770827) has the molecular formula C8H3BrClN3O3 and a molecular weight of 304.49 g/mol. Its IUPAC name is 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole
PubChem CID114770827
Molecular FormulaC8H3BrClN3O3
Molecular Weight304.49 g/mol
Exact Mass302.90
IUPAC Name2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(Br)cc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C8H3BrClN3O3/c9-5-1-4(2-6(3-5)13(14)15)7-11-12-8(10)16-7/h1-3H
InChIKeyCWGDSLMDHWOPDZ-UHFFFAOYSA-N
XLogP3.06
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 114770919
3-bromo-5-(3-bromo-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571731
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
3-(3-bromo-5-nitrophenyl)pyridine
CID 119089037
4-[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]-N,N-diphenylaniline
CID 102044178
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
2-(3,5-dinitrophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
CID 102367576
2-[(2,6-dibromo-4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 2397376
2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
CID 130767613
2-[5-(3-iodo-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1259930

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole (CID 114770827) is 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole is O=[N+]([O-])c1cc(Br)cc(-c2nnc(Cl)o2)c1.
What is the InChIKey of 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole?
The InChIKey is CWGDSLMDHWOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClN3O3/c9-5-1-4(2-6(3-5)13(14)15)7-11-12-8(10)16-7/h1-3H.
What are the key properties of 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole?
2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole has a molecular weight of 304.49 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole is sourced from PubChem (CID 114770827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).