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

C11H9ClN4O — CID 6413627

IUPAC3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N\Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H9ClN4O/c12-10-4-5-11(16-14-10)15-13-7-8-2-1-3-9(17)6-8/h1-7,17H,(H,15,16)/b13-7-
InChIKeyVHPREQPGRNUUEV-QPEQYQDCSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds3

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

3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 6413627) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
PubChem CID6413627
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N\Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H9ClN4O/c12-10-4-5-11(16-14-10)15-13-7-8-2-1-3-9(17)6-8/h1-7,17H,(H,15,16)/b13-7-
InChIKeyVHPREQPGRNUUEV-QPEQYQDCSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 135518631
N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 155673726
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
CID 6845161
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
CID 6411904
N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
CID 155673746
3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 1417226
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol (CID 6413627) is 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol is Oc1cccc(/C=N\Nc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VHPREQPGRNUUEV-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-4-5-11(16-14-10)15-13-7-8-2-1-3-9(17)6-8/h1-7,17H,(H,15,16)/b13-7-.
What are the key properties of 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
3-[(Z)-[(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 3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 6413627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).