4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol

C12H9Cl2N3O — CID 135580378

IUPAC4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2N3O/c13-9-5-11(14)12(15-7-9)17-16-6-8-1-3-10(18)4-2-8/h1-7,18H,(H,15,17)/b16-6+
InChIKeyHGMCYWGOKQCRQD-OMCISZLKSA-N
MW282.13 g/mol
LogP3.54
Rot. Bonds3

About 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol

4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 135580378) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID135580378
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2N3O/c13-9-5-11(14)12(15-7-9)17-16-6-8-1-3-10(18)4-2-8/h1-7,18H,(H,15,17)/b16-6+
InChIKeyHGMCYWGOKQCRQD-OMCISZLKSA-N
XLogP3.54
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 135580378) is 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is HGMCYWGOKQCRQD-OMCISZLKSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-9-5-11(14)12(15-7-9)17-16-6-8-1-3-10(18)4-2-8/h1-7,18H,(H,15,17)/b16-6+.
What are the key properties of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol?
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 282.13 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135580378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).