5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide

C11H10N4O5 — CID 63575736

IUPAC5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2cccnc2[N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O5/c12-14-11(16)7-4-8(19-5-7)6-20-9-2-1-3-13-10(9)15(17)18/h1-5H,6,12H2,(H,14,16)
InChIKeyVBUYWRQTJQJFHB-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.77
Rot. Bonds5

About 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide

5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide (PubChem CID 63575736) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
PubChem CID63575736
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2cccnc2[N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O5/c12-14-11(16)7-4-8(19-5-7)6-20-9-2-1-3-13-10(9)15(17)18/h1-5H,6,12H2,(H,14,16)
InChIKeyVBUYWRQTJQJFHB-UHFFFAOYSA-N
XLogP0.77
TPSA133.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.77
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-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 107719018
5-[(2-bromo-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 81496877
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63380396
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
5-(phenylmethoxymethyl)furan-3-carbohydrazide
CID 55213199
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide (CID 63575736) is 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2cccnc2[N+](=O)[O-])c1.
What is the InChIKey of 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide?
The InChIKey is VBUYWRQTJQJFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c12-14-11(16)7-4-8(19-5-7)6-20-9-2-1-3-13-10(9)15(17)18/h1-5H,6,12H2,(H,14,16).
What are the key properties of 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide?
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide has a molecular weight of 278.22 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63575736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).