2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide

C12H10BrN3O5 — CID 103589511

IUPAC2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10BrN3O5/c13-7-3-8(16(18)19)5-9(4-7)21-6-11-10(1-2-20-11)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyKESYHSFVAXMBPA-UHFFFAOYSA-N
MW356.13 g/mol
LogP2.13
Rot. Bonds5

About 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide

2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 103589511) has the molecular formula C12H10BrN3O5 and a molecular weight of 356.13 g/mol. Its IUPAC name is 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
PubChem CID103589511
Molecular FormulaC12H10BrN3O5
Molecular Weight356.13 g/mol
Exact Mass354.98
IUPAC Name2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10BrN3O5/c13-7-3-8(16(18)19)5-9(4-7)21-6-11-10(1-2-20-11)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyKESYHSFVAXMBPA-UHFFFAOYSA-N
XLogP2.13
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-bromo-5-nitrophenoxy)methyl]phenyl]methanol
CID 103589250
2-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322665
4-[(3-bromo-5-nitrophenoxy)methyl]benzoic acid
CID 103588410
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
5-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 103588395
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103589476
[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 103589477
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
methyl 2-amino-4-(3-bromo-5-nitrophenoxy)butanoate
CID 103589399

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide (CID 103589511) is 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1COc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is KESYHSFVAXMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O5/c13-7-3-8(16(18)19)5-9(4-7)21-6-11-10(1-2-20-11)12(17)15-14/h1-5H,6,14H2,(H,15,17).
What are the key properties of 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide?
2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 356.13 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 103589511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).