2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol

C9H7Br2N5O2 — CID 135446667

IUPAC2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol
SMILESNc1nonc1N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H7Br2N5O2/c10-5-1-4(7(17)6(11)2-5)3-13-14-9-8(12)15-18-16-9/h1-3,17H,(H2,12,15)(H,14,16)/b13-3+
InChIKeyRLXVCPWGRGTJRR-QLKAYGNNSA-N
MW377.00 g/mol
LogP2.33
Rot. Bonds3

About 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol

2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol (PubChem CID 135446667) has the molecular formula C9H7Br2N5O2 and a molecular weight of 377.00 g/mol. Its IUPAC name is 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol
PubChem CID135446667
Molecular FormulaC9H7Br2N5O2
Molecular Weight377.00 g/mol
Exact Mass374.90
IUPAC Name2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol
SMILESNc1nonc1N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H7Br2N5O2/c10-5-1-4(7(17)6(11)2-5)3-13-14-9-8(12)15-18-16-9/h1-3,17H,(H2,12,15)(H,14,16)/b13-3+
InChIKeyRLXVCPWGRGTJRR-QLKAYGNNSA-N
XLogP2.33
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.00
LogP ≤ 52.33
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 137089066
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
5-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 136688463
2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3601514
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
3-N-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
CID 3107803
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
2-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-4,6-dibromophenol
CID 135684918
4-amino-N-[(3,5-dibromo-2-propan-2-yloxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5074141
2,4-dibromo-6-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135515693

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol?
The IUPAC name of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol (CID 135446667) is 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol is Nc1nonc1N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol?
The InChIKey is RLXVCPWGRGTJRR-QLKAYGNNSA-N. The full InChI is InChI=1S/C9H7Br2N5O2/c10-5-1-4(7(17)6(11)2-5)3-13-14-9-8(12)15-18-16-9/h1-3,17H,(H2,12,15)(H,14,16)/b13-3+.
What are the key properties of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol?
2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol has a molecular weight of 377.00 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol is sourced from PubChem (CID 135446667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).