methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate

C10H6Cl3N3O2 — CID 6199684

IUPACmethyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(C#N)=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3O2/c1-18-10(17)8(4-14)15-16-9-6(12)2-5(11)3-7(9)13/h2-3,16H,1H3/b15-8-
InChIKeyFQOIMMYGAWAGGS-NVNXTCNLSA-N
MW306.54 g/mol
LogP3.11
Rot. Bonds3

About methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate

methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate (PubChem CID 6199684) has the molecular formula C10H6Cl3N3O2 and a molecular weight of 306.54 g/mol. Its IUPAC name is methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate
PubChem CID6199684
Molecular FormulaC10H6Cl3N3O2
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Namemethyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(C#N)=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3O2/c1-18-10(17)8(4-14)15-16-9-6(12)2-5(11)3-7(9)13/h2-3,16H,1H3/b15-8-
InChIKeyFQOIMMYGAWAGGS-NVNXTCNLSA-N
XLogP3.11
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate (CID 6199684) is methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate is COC(=O)/C(C#N)=N\Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate?
The InChIKey is FQOIMMYGAWAGGS-NVNXTCNLSA-N. The full InChI is InChI=1S/C10H6Cl3N3O2/c1-18-10(17)8(4-14)15-16-9-6(12)2-5(11)3-7(9)13/h2-3,16H,1H3/b15-8-.
What are the key properties of methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate?
methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate has a molecular weight of 306.54 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-cyano-2-[(2,4,6-trichlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 6199684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).