N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride

C12H10ClN3O6 — CID 175272274

IUPACN'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
SMILESCl.O=C(NNC(=O)c1ccco1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O6.ClH/c16-9-4-3-7(6-8(9)15(19)20)11(17)13-14-12(18)10-2-1-5-21-10;/h1-6,16H,(H,13,17)(H,14,18);1H
InChIKeyYGQSDYZKLQGLGC-UHFFFAOYSA-N
MW327.68 g/mol
LogP1.39
Rot. Bonds3

About N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride

N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride (PubChem CID 175272274) has the molecular formula C12H10ClN3O6 and a molecular weight of 327.68 g/mol. Its IUPAC name is N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
PubChem CID175272274
Molecular FormulaC12H10ClN3O6
Molecular Weight327.68 g/mol
Exact Mass327.03
IUPAC NameN'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
SMILESCl.O=C(NNC(=O)c1ccco1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O6.ClH/c16-9-4-3-7(6-8(9)15(19)20)11(17)13-14-12(18)10-2-1-5-21-10;/h1-6,16H,(H,13,17)(H,14,18);1H
InChIKeyYGQSDYZKLQGLGC-UHFFFAOYSA-N
XLogP1.39
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
CID 135347144
N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 43001007
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
CID 152628740
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412
N'-(4-hydroxy-3-nitrobenzoyl)-3-(3-propan-2-ylphenyl)furan-2-carbohydrazide
CID 11690043
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
CID 11677505
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
4-(furan-2-yl)-2-nitrophenol
CID 53221595
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride?
The IUPAC name of N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride (CID 175272274) is N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride.
What is the SMILES notation for N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride?
The canonical SMILES for N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride is Cl.O=C(NNC(=O)c1ccco1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride?
The InChIKey is YGQSDYZKLQGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O6.ClH/c16-9-4-3-7(6-8(9)15(19)20)11(17)13-14-12(18)10-2-1-5-21-10;/h1-6,16H,(H,13,17)(H,14,18);1H.
What are the key properties of N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride?
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride has a molecular weight of 327.68 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 175272274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).