2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate

C8H5Br2N6O- — CID 7101775

IUPAC2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
SMILES[O-]c1c(Br)cc(Br)cc1C=NNc1nn[nH]n1
InChIInChI=1S/C8H6Br2N6O/c9-5-1-4(7(17)6(10)2-5)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)/p-1
InChIKeyFXNAZQUHZWNLPM-UHFFFAOYSA-M
MW360.98 g/mol
LogP1.24
Rot. Bonds3

About 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate

2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate (PubChem CID 7101775) has the molecular formula C8H5Br2N6O- and a molecular weight of 360.98 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate.

Molecular Properties

Compound Name2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
PubChem CID7101775
Molecular FormulaC8H5Br2N6O-
Molecular Weight360.98 g/mol
Exact Mass358.89
IUPAC Name2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
SMILES[O-]c1c(Br)cc(Br)cc1C=NNc1nn[nH]n1
InChIInChI=1S/C8H6Br2N6O/c9-5-1-4(7(17)6(10)2-5)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)/p-1
InChIKeyFXNAZQUHZWNLPM-UHFFFAOYSA-M
XLogP1.24
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.98
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
CID 7202940
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
CID 7065258
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
copper;2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate
CID 24893930

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
The IUPAC name of 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate (CID 7101775) is 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate.
What is the SMILES notation for 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
The canonical SMILES for 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate is [O-]c1c(Br)cc(Br)cc1C=NNc1nn[nH]n1.
What is the InChIKey of 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
The InChIKey is FXNAZQUHZWNLPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6Br2N6O/c9-5-1-4(7(17)6(10)2-5)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)/p-1.
What are the key properties of 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate has a molecular weight of 360.98 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate is sourced from PubChem (CID 7101775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).