5-Bromofuran-2-carbohydrazide

C5H5BrN2O2 — CID 468636

IUPAC5-bromofuran-2-carbohydrazide
SMILESC1=C(OC(=C1)Br)C(=O)NN
InChIInChI=1S/C5H5BrN2O2/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyAKANWSCBFOMJNS-UHFFFAOYSA-N
MW205.01 g/mol
LogP0.90
Rot. Bonds1

About 5-Bromofuran-2-carbohydrazide

5-Bromofuran-2-carbohydrazide (PubChem CID 468636) has the molecular formula C5H5BrN2O2 and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-Bromofuran-2-carbohydrazide
PubChem CID468636
Molecular FormulaC5H5BrN2O2
Molecular Weight205.01 g/mol
Exact Mass203.95
IUPAC Name5-bromofuran-2-carbohydrazide
SMILESC1=C(OC(=C1)Br)C(=O)NN
InChIInChI=1S/C5H5BrN2O2/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyAKANWSCBFOMJNS-UHFFFAOYSA-N
XLogP0.90
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity142

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Furancarboxylic acid, hydrazide
CID 18731
5-bromo-N'-(phenylacetyl)-2-furohydrazide
CID 729926
2-(5-bromo-2-furoyl)-N-butylhydrazinecarbothioamide
CID 5108935
5-Bromofuran-2-carboxamide
CID 233581
5-bromo-N'-(1,2-dimethylpropylidene)-2-furohydrazide
CID 5416360
N-allyl-2-(5-bromo-2-furoyl)hydrazinecarbothioamide
CID 1767615
N''-butylfuran-2-carbohydrazide
CID 142329688
N'-(furan-2-carbonyl)furan-2-carbohydrazide
CID 393334
N'-acetylfuran-2-carbohydrazide
CID 463776
N-(carbamothioylamino)furan-2-carboxamide
CID 2798277
5-Methyl-2-furohydrazide
CID 4159250
5-bromo-N'-cycloheptylidene-2-furohydrazide
CID 3283870

Frequently Asked Questions

What is the IUPAC name of 5-Bromofuran-2-carbohydrazide?
The IUPAC name of 5-Bromofuran-2-carbohydrazide (CID 468636) is 5-bromofuran-2-carbohydrazide.
What is the SMILES notation for 5-Bromofuran-2-carbohydrazide?
The canonical SMILES for 5-Bromofuran-2-carbohydrazide is C1=C(OC(=C1)Br)C(=O)NN.
What is the InChIKey of 5-Bromofuran-2-carbohydrazide?
The InChIKey is AKANWSCBFOMJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9).
What are the key properties of 5-Bromofuran-2-carbohydrazide?
5-Bromofuran-2-carbohydrazide has a molecular weight of 205.01 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Bromofuran-2-carbohydrazide is sourced from PubChem (CID 468636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).