2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol

C15H9Br2ClN4O — CID 3589514

IUPAC2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(C=NNc2nnc(Cl)c3ccccc23)cc1Br
InChIInChI=1S/C15H9Br2ClN4O/c16-11-5-8(6-12(17)13(11)23)7-19-21-15-10-4-2-1-3-9(10)14(18)20-22-15/h1-7,23H,(H,21,22)
InChIKeyMAHACSIWYGIRBM-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.96
Rot. Bonds3

About 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol

2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol (PubChem CID 3589514) has the molecular formula C15H9Br2ClN4O and a molecular weight of 456.53 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol
PubChem CID3589514
Molecular FormulaC15H9Br2ClN4O
Molecular Weight456.53 g/mol
Exact Mass453.88
IUPAC Name2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(C=NNc2nnc(Cl)c3ccccc23)cc1Br
InChIInChI=1S/C15H9Br2ClN4O/c16-11-5-8(6-12(17)13(11)23)7-19-21-15-10-4-2-1-3-9(10)14(18)20-22-15/h1-7,23H,(H,21,22)
InChIKeyMAHACSIWYGIRBM-UHFFFAOYSA-N
XLogP4.96
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.96
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-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
CID 1385516
4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 1386432
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
4-bromo-2-[(E)-[[4-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135509570
4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 136816742
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
2,6-dibromo-4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 4616912
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 163327922
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol (CID 3589514) is 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(C=NNc2nnc(Cl)c3ccccc23)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MAHACSIWYGIRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN4O/c16-11-5-8(6-12(17)13(11)23)7-19-21-15-10-4-2-1-3-9(10)14(18)20-22-15/h1-7,23H,(H,21,22).
What are the key properties of 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol?
2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol has a molecular weight of 456.53 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3589514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).