2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol

C9H9Cl3N2O — CID 110507501

IUPAC2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol
SMILESOCCN/N=C/c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl3N2O/c10-7-1-2-8(11)9(12)6(7)5-14-13-3-4-15/h1-2,5,13,15H,3-4H2/b14-5+
InChIKeyQIOBUPOOPPOIMO-LHHJGKSTSA-N
MW267.54 g/mol
LogP2.56
Rot. Bonds4

About 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol

2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110507501) has the molecular formula C9H9Cl3N2O and a molecular weight of 267.54 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol
PubChem CID110507501
Molecular FormulaC9H9Cl3N2O
Molecular Weight267.54 g/mol
Exact Mass265.98
IUPAC Name2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol
SMILESOCCN/N=C/c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl3N2O/c10-7-1-2-8(11)9(12)6(7)5-14-13-3-4-15/h1-2,5,13,15H,3-4H2/b14-5+
InChIKeyQIOBUPOOPPOIMO-LHHJGKSTSA-N
XLogP2.56
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol (CID 110507501) is 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol is OCCN/N=C/c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is QIOBUPOOPPOIMO-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H9Cl3N2O/c10-7-1-2-8(11)9(12)6(7)5-14-13-3-4-15/h1-2,5,13,15H,3-4H2/b14-5+.
What are the key properties of 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol?
2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 267.54 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110507501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).