3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

C11H10BrN3O3 — CID 114761596

IUPAC3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1cccc(Br)c1=O
InChIInChI=1S/C11H10BrN3O3/c12-8-2-1-4-15(11(8)17)6-7-3-5-18-9(7)10(16)14-13/h1-5H,6,13H2,(H,14,16)
InChIKeySOIXHCWMNTVYOD-UHFFFAOYSA-N
MW312.12 g/mol
LogP0.86
Rot. Bonds3

About 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 114761596) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID114761596
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1cccc(Br)c1=O
InChIInChI=1S/C11H10BrN3O3/c12-8-2-1-4-15(11(8)17)6-7-3-5-18-9(7)10(16)14-13/h1-5H,6,13H2,(H,14,16)
InChIKeySOIXHCWMNTVYOD-UHFFFAOYSA-N
XLogP0.86
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 50.86
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 114761596) is 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1Cn1cccc(Br)c1=O.
What is the InChIKey of 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is SOIXHCWMNTVYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c12-8-2-1-4-15(11(8)17)6-7-3-5-18-9(7)10(16)14-13/h1-5H,6,13H2,(H,14,16).
What are the key properties of 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 312.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 114761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).