2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol

C13H12ClN3O4 — CID 7224716

IUPAC2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N\NCCO)o2)c(Cl)c1
InChIInChI=1S/C13H12ClN3O4/c14-12-7-9(17(19)20)1-3-11(12)13-4-2-10(21-13)8-16-15-5-6-18/h1-4,7-8,15,18H,5-6H2/b16-8-
InChIKeyYOEPVJWWZUPDQN-PXNMLYILSA-N
MW309.71 g/mol
LogP2.42
Rot. Bonds6

About 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol

2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol (PubChem CID 7224716) has the molecular formula C13H12ClN3O4 and a molecular weight of 309.71 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol
PubChem CID7224716
Molecular FormulaC13H12ClN3O4
Molecular Weight309.71 g/mol
Exact Mass309.05
IUPAC Name2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N\NCCO)o2)c(Cl)c1
InChIInChI=1S/C13H12ClN3O4/c14-12-7-9(17(19)20)1-3-11(12)13-4-2-10(21-13)8-16-15-5-6-18/h1-4,7-8,15,18H,5-6H2/b16-8-
InChIKeyYOEPVJWWZUPDQN-PXNMLYILSA-N
XLogP2.42
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
3-chloro-N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7640468
3-chloro-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7227483
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
1-(2,6-dichlorophenyl)-N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 19060034
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 50929903
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 18530001
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6058975

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol (CID 7224716) is 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol is O=[N+]([O-])c1ccc(-c2ccc(/C=N\NCCO)o2)c(Cl)c1.
What is the InChIKey of 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol?
The InChIKey is YOEPVJWWZUPDQN-PXNMLYILSA-N. The full InChI is InChI=1S/C13H12ClN3O4/c14-12-7-9(17(19)20)1-3-11(12)13-4-2-10(21-13)8-16-15-5-6-18/h1-4,7-8,15,18H,5-6H2/b16-8-.
What are the key properties of 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol?
2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol has a molecular weight of 309.71 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 7224716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).