2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol

C8H7BrN6O — CID 135504321

IUPAC2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol
SMILESNc1nnnn1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C8H7BrN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)/b11-4+
InChIKeyCUKBDCWDTXVBGW-NYYWCZLTSA-N
MW283.09 g/mol
LogP0.61
Rot. Bonds2

About 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol

2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol (PubChem CID 135504321) has the molecular formula C8H7BrN6O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol.

Molecular Properties

Compound Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol
PubChem CID135504321
Molecular FormulaC8H7BrN6O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol
SMILESNc1nnnn1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C8H7BrN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)/b11-4+
InChIKeyCUKBDCWDTXVBGW-NYYWCZLTSA-N
XLogP0.61
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2-hydroxybenzaldehyde thiosemicarbazone
CID 135409268
2-hydroxybenzaldehyde 1H-tetrazol-5-ylhydrazone
CID 135504452
1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858628
4-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
CID 135400459
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}phenol
CID 135504325
4-bromo-2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135569092
N'',N'''-Bis(5-bromo-2-hydroxybenzylidene)carbonohydrazide
CID 135429959
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135506548
4-[(Z)-[(5-Amino-1H-1,2,3,4-tetrazol-1-YL)imino]methyl]phenol
CID 135775656
1-(2-Hydroxy-5-bromo-benzylidene)thiosemicarbazide
CID 690748
4-Bromo-2-(1,2,4-triazol-4-yliminomethyl)phenol
CID 668416

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol?
The IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol (CID 135504321) is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol.
What is the SMILES notation for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol?
The canonical SMILES for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol is Nc1nnnn1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol?
The InChIKey is CUKBDCWDTXVBGW-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7BrN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)/b11-4+.
What are the key properties of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol?
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol has a molecular weight of 283.09 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-bromophenol is sourced from PubChem (CID 135504321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).