[[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide

C8H5BrN3O- — CID 170923395

IUPAC[[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide
SMILES[N-]=NN=CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H5BrN3O/c9-7-3-1-6(2-4-7)8(13)5-11-12-10/h1-5H/q-1
InChIKeyRTNGETFORQPHHG-UHFFFAOYSA-N
MW239.05 g/mol
LogP2.64
Rot. Bonds3

About [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide

[[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide (PubChem CID 170923395) has the molecular formula C8H5BrN3O- and a molecular weight of 239.05 g/mol. Its IUPAC name is [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide.

Molecular Properties

Compound Name[[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide
PubChem CID170923395
Molecular FormulaC8H5BrN3O-
Molecular Weight239.05 g/mol
Exact Mass237.96
IUPAC Name[[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide
SMILES[N-]=NN=CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H5BrN3O/c9-7-3-1-6(2-4-7)8(13)5-11-12-10/h1-5H/q-1
InChIKeyRTNGETFORQPHHG-UHFFFAOYSA-N
XLogP2.64
TPSA64.09 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

(2Z)-1-(4-bromophenyl)-2-hydroxyiminoethanone
CID 11356618
2-[(E)-[2-(4-bromophenyl)-2-oxoethylidene]amino]isoindole-1,3-dione
CID 177429185
2-[4-(4-bromophenyl)phenyl]-2-oxoacetaldehyde
CID 39233469
(E)-1,3-bis(4-bromophenyl)but-2-en-1-one
CID 6062603
2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
CID 71833055
4-bromobenzoic acid;copper
CID 67824318
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
4-bromo-N-(chloromethyl)benzamide
CID 29079018
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
(Z)-1-(4-bromophenyl)-3-chloro-4,4-dimethylpent-2-en-1-one
CID 154635070
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280

Frequently Asked Questions

What is the IUPAC name of [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide?
The IUPAC name of [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide (CID 170923395) is [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide.
What is the SMILES notation for [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide?
The canonical SMILES for [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide is [N-]=NN=CC(=O)c1ccc(Br)cc1.
What is the InChIKey of [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide?
The InChIKey is RTNGETFORQPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN3O/c9-7-3-1-6(2-4-7)8(13)5-11-12-10/h1-5H/q-1.
What are the key properties of [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide?
[[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide has a molecular weight of 239.05 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-bromophenyl)-2-oxoethylidene]hydrazinylidene]azanide is sourced from PubChem (CID 170923395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).