4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate

C8H6BrN6O- — CID 7202940

IUPAC4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
SMILES[O-]c1ccc(Br)cc1/C=N\Nc1nn[nH]n1
InChIInChI=1S/C8H7BrN6O/c9-6-1-2-7(16)5(3-6)4-10-11-8-12-14-15-13-8/h1-4,16H,(H2,11,12,13,14,15)/p-1/b10-4-
InChIKeyCMARWCSDKKGUQE-WMZJFQQLSA-M
MW282.08 g/mol
LogP0.48
Rot. Bonds3

About 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate

4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate (PubChem CID 7202940) has the molecular formula C8H6BrN6O- and a molecular weight of 282.08 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate.

Molecular Properties

Compound Name4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
PubChem CID7202940
Molecular FormulaC8H6BrN6O-
Molecular Weight282.08 g/mol
Exact Mass280.98
IUPAC Name4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
SMILES[O-]c1ccc(Br)cc1/C=N\Nc1nn[nH]n1
InChIInChI=1S/C8H7BrN6O/c9-6-1-2-7(16)5(3-6)4-10-11-8-12-14-15-13-8/h1-4,16H,(H2,11,12,13,14,15)/p-1/b10-4-
InChIKeyCMARWCSDKKGUQE-WMZJFQQLSA-M
XLogP0.48
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 50.48
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

2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
CID 7101775
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
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
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
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
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
N-[(E)-[4-(diethylamino)-2-prop-2-enoxyphenyl]methylideneamino]-2H-tetrazol-5-amine
CID 18527337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
The IUPAC name of 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate (CID 7202940) is 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate.
What is the SMILES notation for 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
The canonical SMILES for 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate is [O-]c1ccc(Br)cc1/C=N\Nc1nn[nH]n1.
What is the InChIKey of 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
The InChIKey is CMARWCSDKKGUQE-WMZJFQQLSA-M. The full InChI is InChI=1S/C8H7BrN6O/c9-6-1-2-7(16)5(3-6)4-10-11-8-12-14-15-13-8/h1-4,16H,(H2,11,12,13,14,15)/p-1/b10-4-.
What are the key properties of 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate?
4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate has a molecular weight of 282.08 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate is sourced from PubChem (CID 7202940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).