(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid

C8H6Cl2N2O2 — CID 87583449

IUPAC(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C(Cl)=N\Nc1ccccc1Cl
InChIInChI=1S/C8H6Cl2N2O2/c9-5-3-1-2-4-6(5)11-12-7(10)8(13)14/h1-4,11H,(H,13,14)/b12-7+
InChIKeyBSSNUISQTHPLCQ-KPKJPENVSA-N
MW233.05 g/mol
LogP2.39
Rot. Bonds3

About (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid

(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid (PubChem CID 87583449) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
PubChem CID87583449
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC Name(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C(Cl)=N\Nc1ccccc1Cl
InChIInChI=1S/C8H6Cl2N2O2/c9-5-3-1-2-4-6(5)11-12-7(10)8(13)14/h1-4,11H,(H,13,14)/b12-7+
InChIKeyBSSNUISQTHPLCQ-KPKJPENVSA-N
XLogP2.39
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 52.39
H-Bond Donors ≤ 52
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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Related Compounds

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CID 11515058
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N'-(2-chloroanilino)benzenecarboximidamide
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2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride
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2-chloro-N-[(E)-1-nitroethylideneamino]aniline
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methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate
CID 171522886
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 86760180
N'-(2-chloroanilino)-N,N-diethylethanimidamide
CID 25018588
(1E)-N-(2-chloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide
CID 5410483
N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
CID 67958780
2-[4-[(Z)-N-(2-chloroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9070034

Frequently Asked Questions

What is the IUPAC name of (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid?
The IUPAC name of (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid (CID 87583449) is (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid?
The canonical SMILES for (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid is O=C(O)/C(Cl)=N\Nc1ccccc1Cl.
What is the InChIKey of (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid?
The InChIKey is BSSNUISQTHPLCQ-KPKJPENVSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c9-5-3-1-2-4-6(5)11-12-7(10)8(13)14/h1-4,11H,(H,13,14)/b12-7+.
What are the key properties of (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid?
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid has a molecular weight of 233.05 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 87583449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).