2-bromo-4-chloro-6-methanehydrazonoylphenol

C7H6BrClN2O — CID 136503874

IUPAC2-bromo-4-chloro-6-methanehydrazonoylphenol
SMILESNN=Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C7H6BrClN2O/c8-6-2-5(9)1-4(3-11-10)7(6)12/h1-3,12H,10H2
InChIKeyPDSJLNJXEGMCAZ-UHFFFAOYSA-N
MW249.50 g/mol
LogP2.10
Rot. Bonds1

About 2-bromo-4-chloro-6-methanehydrazonoylphenol

2-bromo-4-chloro-6-methanehydrazonoylphenol (PubChem CID 136503874) has the molecular formula C7H6BrClN2O and a molecular weight of 249.50 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-methanehydrazonoylphenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-methanehydrazonoylphenol
PubChem CID136503874
Molecular FormulaC7H6BrClN2O
Molecular Weight249.50 g/mol
Exact Mass247.94
IUPAC Name2-bromo-4-chloro-6-methanehydrazonoylphenol
SMILESNN=Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C7H6BrClN2O/c8-6-2-5(9)1-4(3-11-10)7(6)12/h1-3,12H,10H2
InChIKeyPDSJLNJXEGMCAZ-UHFFFAOYSA-N
XLogP2.10
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
CID 727419
2,6-dibromo-4-chlorophenol
CID 21394
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
CID 162660236
2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139201615
2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
CID 135912099
2-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-6-bromo-4-chlorophenol
CID 135501463
2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-6-bromo-4-chlorophenol
CID 136767839
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379615
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-methanehydrazonoylphenol?
The IUPAC name of 2-bromo-4-chloro-6-methanehydrazonoylphenol (CID 136503874) is 2-bromo-4-chloro-6-methanehydrazonoylphenol.
What is the SMILES notation for 2-bromo-4-chloro-6-methanehydrazonoylphenol?
The canonical SMILES for 2-bromo-4-chloro-6-methanehydrazonoylphenol is NN=Cc1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-chloro-6-methanehydrazonoylphenol?
The InChIKey is PDSJLNJXEGMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/c8-6-2-5(9)1-4(3-11-10)7(6)12/h1-3,12H,10H2.
What are the key properties of 2-bromo-4-chloro-6-methanehydrazonoylphenol?
2-bromo-4-chloro-6-methanehydrazonoylphenol has a molecular weight of 249.50 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-methanehydrazonoylphenol is sourced from PubChem (CID 136503874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).