2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol

C13H13Cl2N3O2 — CID 107710331

IUPAC2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol
SMILESNNc1nc(Oc2ccc(CCO)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2/c14-10-7-11(15)13(17-12(10)18-16)20-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6,16H2,(H,17,18)
InChIKeyWNJGHKFIAPOFEB-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol

2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol (PubChem CID 107710331) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol
PubChem CID107710331
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol
SMILESNNc1nc(Oc2ccc(CCO)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2/c14-10-7-11(15)13(17-12(10)18-16)20-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6,16H2,(H,17,18)
InChIKeyWNJGHKFIAPOFEB-UHFFFAOYSA-N
XLogP3.00
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol (CID 107710331) is 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol is NNc1nc(Oc2ccc(CCO)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is WNJGHKFIAPOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c14-10-7-11(15)13(17-12(10)18-16)20-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6,16H2,(H,17,18).
What are the key properties of 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol?
2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 314.17 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 107710331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).