(2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide

C2H3ClIN3O — CID 143370645

IUPAC(2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide
SMILESNN/N=C(\Cl)C(=O)I
InChIInChI=1S/C2H3ClIN3O/c3-1(2(4)8)6-7-5/h7H,5H2/b6-1-
InChIKeyHCMMMXQCYSJOCR-BHQIHCQQSA-N
MW247.42 g/mol
LogP-0.04
Rot. Bonds2

About (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide

(2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide (PubChem CID 143370645) has the molecular formula C2H3ClIN3O and a molecular weight of 247.42 g/mol. Its IUPAC name is (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide.

Molecular Properties

Compound Name(2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide
PubChem CID143370645
Molecular FormulaC2H3ClIN3O
Molecular Weight247.42 g/mol
Exact Mass246.90
IUPAC Name(2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide
SMILESNN/N=C(\Cl)C(=O)I
InChIInChI=1S/C2H3ClIN3O/c3-1(2(4)8)6-7-5/h7H,5H2/b6-1-
InChIKeyHCMMMXQCYSJOCR-BHQIHCQQSA-N
XLogP-0.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide?
The IUPAC name of (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide (CID 143370645) is (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide.
What is the SMILES notation for (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide?
The canonical SMILES for (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide is NN/N=C(\Cl)C(=O)I.
What is the InChIKey of (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide?
The InChIKey is HCMMMXQCYSJOCR-BHQIHCQQSA-N. The full InChI is InChI=1S/C2H3ClIN3O/c3-1(2(4)8)6-7-5/h7H,5H2/b6-1-.
What are the key properties of (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide?
(2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide has a molecular weight of 247.42 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminohydrazinylidene)-2-chloroacetyl iodide is sourced from PubChem (CID 143370645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).