5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide

C11H8BrN3O4 — CID 95911264

IUPAC5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1
InChIInChI=1S/C11H8BrN3O4/c12-6-1-2-7(8(5-6)15(17)18)9-3-4-10(19-9)11(16)14-13/h1-5H,13H2,(H,14,16)
InChIKeyXQUCVZZZVXMTOD-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.22
Rot. Bonds3

About 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide

5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide (PubChem CID 95911264) has the molecular formula C11H8BrN3O4 and a molecular weight of 326.11 g/mol. Its IUPAC name is 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
PubChem CID95911264
Molecular FormulaC11H8BrN3O4
Molecular Weight326.11 g/mol
Exact Mass324.97
IUPAC Name5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1
InChIInChI=1S/C11H8BrN3O4/c12-6-1-2-7(8(5-6)15(17)18)9-3-4-10(19-9)11(16)14-13/h1-5H,13H2,(H,14,16)
InChIKeyXQUCVZZZVXMTOD-UHFFFAOYSA-N
XLogP2.22
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

prop-2-enyl 5-(4-bromo-2-nitrophenyl)furan-2-carboxylate
CID 91674178
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675716
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enoyl chloride
CID 91675715
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
2-(4-bromo-2-nitrophenyl)acetohydrazide
CID 57010527
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126370444
[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674114

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide?
The IUPAC name of 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide (CID 95911264) is 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide is NNC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide?
The InChIKey is XQUCVZZZVXMTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O4/c12-6-1-2-7(8(5-6)15(17)18)9-3-4-10(19-9)11(16)14-13/h1-5H,13H2,(H,14,16).
What are the key properties of 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide?
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide has a molecular weight of 326.11 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 95911264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).