(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride

C5H3ClN2O4 — CID 10888748

IUPAC(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
SMILESO=[N+]([O-])c1ccc(/C(Cl)=N\O)o1
InChIInChI=1S/C5H3ClN2O4/c6-5(7-9)3-1-2-4(12-3)8(10)11/h1-2,9H/b7-5+
InChIKeyMHBDMSBXZPDMCI-FNORWQNLSA-N
MW190.54 g/mol
LogP1.56
Rot. Bonds2

About (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride

(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride (PubChem CID 10888748) has the molecular formula C5H3ClN2O4 and a molecular weight of 190.54 g/mol. Its IUPAC name is (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride.

Molecular Properties

Compound Name(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
PubChem CID10888748
Molecular FormulaC5H3ClN2O4
Molecular Weight190.54 g/mol
Exact Mass189.98
IUPAC Name(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
SMILESO=[N+]([O-])c1ccc(/C(Cl)=N\O)o1
InChIInChI=1S/C5H3ClN2O4/c6-5(7-9)3-1-2-4(12-3)8(10)11/h1-2,9H/b7-5+
InChIKeyMHBDMSBXZPDMCI-FNORWQNLSA-N
XLogP1.56
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.54
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
trimethyl-[1-(5-nitrofuran-2-yl)ethenyl]azanium
CID 88768662
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 24692016
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
trimethyl-[1-(5-nitrofuran-2-yl)ethenyl]azanium bromide
CID 88768661
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738

Frequently Asked Questions

What is the IUPAC name of (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride?
The IUPAC name of (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride (CID 10888748) is (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride.
What is the SMILES notation for (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride?
The canonical SMILES for (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride is O=[N+]([O-])c1ccc(/C(Cl)=N\O)o1.
What is the InChIKey of (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride?
The InChIKey is MHBDMSBXZPDMCI-FNORWQNLSA-N. The full InChI is InChI=1S/C5H3ClN2O4/c6-5(7-9)3-1-2-4(12-3)8(10)11/h1-2,9H/b7-5+.
What are the key properties of (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride?
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride has a molecular weight of 190.54 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride is sourced from PubChem (CID 10888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).