(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide

C9H8BrN5O — CID 6266505

IUPAC(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/Nc1ccc(Br)cc1)C(=O)NN
InChIInChI=1S/C9H8BrN5O/c10-6-1-3-7(4-2-6)14-15-8(5-11)9(16)13-12/h1-4,14H,12H2,(H,13,16)/b15-8-
InChIKeyCAGKVDSKNRTPPD-NVNXTCNLSA-N
MW282.10 g/mol
LogP0.73
Rot. Bonds3

About (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide

(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide (PubChem CID 6266505) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
PubChem CID6266505
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/Nc1ccc(Br)cc1)C(=O)NN
InChIInChI=1S/C9H8BrN5O/c10-6-1-3-7(4-2-6)14-15-8(5-11)9(16)13-12/h1-4,14H,12H2,(H,13,16)/b15-8-
InChIKeyCAGKVDSKNRTPPD-NVNXTCNLSA-N
XLogP0.73
TPSA103.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
CID 6523367
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
methyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-cyanoethanimidothioate
CID 6418761
N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
N-anilino-2-oxopropanimidoyl cyanide
CID 830615
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 5361255
4-[2-[1-cyano-2-(ethoxycarbonylamino)-2-oxoethylidene]hydrazinyl]benzoic acid
CID 4589740
diethyl (Z,4E)-3-amino-4-[(4-bromophenyl)hydrazinylidene]-2-cyanopent-2-enedioate
CID 6011871
N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
CID 4249266
(1E)-2-amino-2-oxo-N-(4-pyrimidin-2-ylanilino)ethanimidoyl cyanide
CID 167211260
N-(4-fluoroanilino)-3-methyl-2-oxobutanimidoyl cyanide
CID 538555
2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
CID 922440

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide (CID 6266505) is (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide is N#C/C(=N/Nc1ccc(Br)cc1)C(=O)NN.
What is the InChIKey of (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide?
The InChIKey is CAGKVDSKNRTPPD-NVNXTCNLSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-6-1-3-7(4-2-6)14-15-8(5-11)9(16)13-12/h1-4,14H,12H2,(H,13,16)/b15-8-.
What are the key properties of (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide?
(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide has a molecular weight of 282.10 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 6266505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).