(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid

C10H10Cl2N2O2 — CID 176888578

IUPAC(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid
SMILESCCN(/N=C\C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2N2O2/c1-2-14(13-6-10(15)16)9-5-7(11)3-4-8(9)12/h3-6H,2H2,1H3,(H,15,16)/b13-6-
InChIKeyATSSTIDUMNKRIL-MLPAPPSSSA-N
MW261.11 g/mol
LogP2.89
Rot. Bonds4

About (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid

(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid (PubChem CID 176888578) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid
PubChem CID176888578
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid
SMILESCCN(/N=C\C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2N2O2/c1-2-14(13-6-10(15)16)9-5-7(11)3-4-8(9)12/h3-6H,2H2,1H3,(H,15,16)/b13-6-
InChIKeyATSSTIDUMNKRIL-MLPAPPSSSA-N
XLogP2.89
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid?
The IUPAC name of (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid (CID 176888578) is (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid?
The canonical SMILES for (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid is CCN(/N=C\C(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid?
The InChIKey is ATSSTIDUMNKRIL-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-2-14(13-6-10(15)16)9-5-7(11)3-4-8(9)12/h3-6H,2H2,1H3,(H,15,16)/b13-6-.
What are the key properties of (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid?
(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid has a molecular weight of 261.11 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid is sourced from PubChem (CID 176888578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).