2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol

C10H11Cl3N2O — CID 5221044

IUPAC2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol
SMILESCC(=NNCCO)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2O/c1-6(15-14-4-5-16)7-2-3-8(11)10(13)9(7)12/h2-3,14,16H,4-5H2,1H3
InChIKeyYIZJAPWRXYMBHS-UHFFFAOYSA-N
MW281.57 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol

2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol (PubChem CID 5221044) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol
PubChem CID5221044
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol
SMILESCC(=NNCCO)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2O/c1-6(15-14-4-5-16)7-2-3-8(11)10(13)9(7)12/h2-3,14,16H,4-5H2,1H3
InChIKeyYIZJAPWRXYMBHS-UHFFFAOYSA-N
XLogP2.95
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 52.95
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_2', '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-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol (CID 5221044) is 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol is CC(=NNCCO)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol?
The InChIKey is YIZJAPWRXYMBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c1-6(15-14-4-5-16)7-2-3-8(11)10(13)9(7)12/h2-3,14,16H,4-5H2,1H3.
What are the key properties of 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol?
2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol has a molecular weight of 281.57 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]ethanol is sourced from PubChem (CID 5221044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).