4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol

C11H9ClN4O — CID 135518631

IUPAC4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(C=NNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H9ClN4O/c12-10-5-6-11(16-14-10)15-13-7-8-1-3-9(17)4-2-8/h1-7,17H,(H,15,16)
InChIKeyKTWNFYNMABEGMN-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds3

About 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol

4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 135518631) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
PubChem CID135518631
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(C=NNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H9ClN4O/c12-10-5-6-11(16-14-10)15-13-7-8-1-3-9(17)4-2-8/h1-7,17H,(H,15,16)
InChIKeyKTWNFYNMABEGMN-UHFFFAOYSA-N
XLogP2.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6413627
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
CID 6845161
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
4-[(E)-[[4-amino-5-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]hydrazinylidene]methyl]phenol
CID 135838346
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
CID 6411904
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine
CID 70432124
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol (CID 135518631) is 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol is Oc1ccc(C=NNc2ccc(Cl)nn2)cc1.
What is the InChIKey of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KTWNFYNMABEGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-5-6-11(16-14-10)15-13-7-8-1-3-9(17)4-2-8/h1-7,17H,(H,15,16).
What are the key properties of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol has a molecular weight of 248.67 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135518631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).