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

C13H11Br3N2O — CID 169384554

IUPAC2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1c(Br)cc(Br)c(CNNc2ccccc2)c1Br
InChIInChI=1S/C13H11Br3N2O/c14-10-6-11(15)13(19)12(16)9(10)7-17-18-8-4-2-1-3-5-8/h1-6,17-19H,7H2
InChIKeyFHGRGXQCZOYESQ-UHFFFAOYSA-N
MW450.96 g/mol
LogP4.80
Rot. Bonds4

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

2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169384554) has the molecular formula C13H11Br3N2O and a molecular weight of 450.96 g/mol. Its IUPAC name is 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169384554
Molecular FormulaC13H11Br3N2O
Molecular Weight450.96 g/mol
Exact Mass447.84
IUPAC Name2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1c(Br)cc(Br)c(CNNc2ccccc2)c1Br
InChIInChI=1S/C13H11Br3N2O/c14-10-6-11(15)13(19)12(16)9(10)7-17-18-8-4-2-1-3-5-8/h1-6,17-19H,7H2
InChIKeyFHGRGXQCZOYESQ-UHFFFAOYSA-N
XLogP4.80
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387063
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
CID 169387140
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol
CID 169387245
4-anilino-2,6-dibromophenol
CID 25129835
1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384645
2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
CID 169381666
[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate
CID 169387072
2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387165
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol (CID 169384554) is 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol is Oc1c(Br)cc(Br)c(CNNc2ccccc2)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is FHGRGXQCZOYESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2O/c14-10-6-11(15)13(19)12(16)9(10)7-17-18-8-4-2-1-3-5-8/h1-6,17-19H,7H2.
What are the key properties of 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol?
2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 450.96 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169384554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).