N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride

C11H7ClN2O4 — CID 71391454

IUPACN-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride
SMILESO=[N+]([O-])c1ccc(-c2ccc(C(Cl)=NO)o2)cc1
InChIInChI=1S/C11H7ClN2O4/c12-11(13-15)10-6-5-9(18-10)7-1-3-8(4-2-7)14(16)17/h1-6,15H
InChIKeyBKXUUZVNXQPIIM-UHFFFAOYSA-N
MW266.64 g/mol
LogP3.23
Rot. Bonds3

About N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride

N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride (PubChem CID 71391454) has the molecular formula C11H7ClN2O4 and a molecular weight of 266.64 g/mol. Its IUPAC name is N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride
PubChem CID71391454
Molecular FormulaC11H7ClN2O4
Molecular Weight266.64 g/mol
Exact Mass266.01
IUPAC NameN-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride
SMILESO=[N+]([O-])c1ccc(-c2ccc(C(Cl)=NO)o2)cc1
InChIInChI=1S/C11H7ClN2O4/c12-11(13-15)10-6-5-9(18-10)7-1-3-8(4-2-7)14(16)17/h1-6,15H
InChIKeyBKXUUZVNXQPIIM-UHFFFAOYSA-N
XLogP3.23
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 53.23
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-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
5-(4-nitrophenyl)furan-2-carbothioamide
CID 82118862
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
CID 10888748
trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane
CID 177431636
propan-2-yl 5-(4-nitrophenyl)furan-2-carboxylate
CID 43018407
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 9146078
(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7355757
5-(4-chlorophenyl)-N-[(4-nitroanilino)carbamothioyl]furan-2-carboxamide
CID 4540636
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 27659581
[2-(methylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691528

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride?
The IUPAC name of N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride (CID 71391454) is N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride.
What is the SMILES notation for N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride?
The canonical SMILES for N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride is O=[N+]([O-])c1ccc(-c2ccc(C(Cl)=NO)o2)cc1.
What is the InChIKey of N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride?
The InChIKey is BKXUUZVNXQPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4/c12-11(13-15)10-6-5-9(18-10)7-1-3-8(4-2-7)14(16)17/h1-6,15H.
What are the key properties of N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride?
N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride has a molecular weight of 266.64 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride is sourced from PubChem (CID 71391454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).