2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol

C13H9Br3N2O — CID 169381666

IUPAC2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(Br)c(C=NNc2ccccc2)c1Br
InChIInChI=1S/C13H9Br3N2O/c14-10-6-11(15)13(19)12(16)9(10)7-17-18-8-4-2-1-3-5-8/h1-7,18-19H
InChIKeyYDQOABRYMBWDHF-UHFFFAOYSA-N
MW448.94 g/mol
LogP5.13
Rot. Bonds3

About 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol

2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169381666) has the molecular formula C13H9Br3N2O and a molecular weight of 448.94 g/mol. Its IUPAC name is 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169381666
Molecular FormulaC13H9Br3N2O
Molecular Weight448.94 g/mol
Exact Mass445.83
IUPAC Name2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(Br)c(C=NNc2ccccc2)c1Br
InChIInChI=1S/C13H9Br3N2O/c14-10-6-11(15)13(19)12(16)9(10)7-17-18-8-4-2-1-3-5-8/h1-7,18-19H
InChIKeyYDQOABRYMBWDHF-UHFFFAOYSA-N
XLogP5.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.94
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577785
N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
CID 169383987
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
2,4-dibromo-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136680616
N-[(2-bromo-6-iodophenyl)methylideneamino]aniline
CID 169384067
4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
CID 5333871
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 2249798
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
methyl 3-bromo-2-[(phenylhydrazinylidene)methyl]benzoate
CID 169384174
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol (CID 169381666) is 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol is Oc1c(Br)cc(Br)c(C=NNc2ccccc2)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is YDQOABRYMBWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O/c14-10-6-11(15)13(19)12(16)9(10)7-17-18-8-4-2-1-3-5-8/h1-7,18-19H.
What are the key properties of 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol?
2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 448.94 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169381666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).