5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

C11H9BrN4O5 — CID 104506056

IUPAC5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)o1
InChIInChI=1S/C11H9BrN4O5/c12-8-3-6(16(19)20)4-15(11(8)18)5-7-1-2-9(21-7)10(17)14-13/h1-4H,5,13H2,(H,14,17)
InChIKeyOIIJEKVVNSMSPY-UHFFFAOYSA-N
MW357.12 g/mol
LogP0.76
Rot. Bonds4

About 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 104506056) has the molecular formula C11H9BrN4O5 and a molecular weight of 357.12 g/mol. Its IUPAC name is 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID104506056
Molecular FormulaC11H9BrN4O5
Molecular Weight357.12 g/mol
Exact Mass355.98
IUPAC Name5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)o1
InChIInChI=1S/C11H9BrN4O5/c12-8-3-6(16(19)20)4-15(11(8)18)5-7-1-2-9(21-7)10(17)14-13/h1-4H,5,13H2,(H,14,17)
InChIKeyOIIJEKVVNSMSPY-UHFFFAOYSA-N
XLogP0.76
TPSA133.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbaldehyde
CID 104505923
5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 79351546
3-bromo-1-[(4-fluorophenyl)methyl]-5-nitropyridin-2-one
CID 75381210
6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
CID 104506054
3-bromo-1-(4-hydroxybutyl)-5-nitropyridin-2-one
CID 104505940
3-bromo-5-nitro-1-(2-oxobutyl)pyridin-2-one
CID 115687189
ethyl 2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)acetate
CID 112699852
5-[(5-bromoindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577405
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720
N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 71856381
6-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]pyridine-3-carboxylic acid
CID 104505527
3-bromo-5-nitro-1-(4-sulfanylbutyl)pyridin-2-one
CID 104506088

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 104506056) is 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)o1.
What is the InChIKey of 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is OIIJEKVVNSMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O5/c12-8-3-6(16(19)20)4-15(11(8)18)5-7-1-2-9(21-7)10(17)14-13/h1-4H,5,13H2,(H,14,17).
What are the key properties of 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 357.12 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 104506056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).