2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid

C7H6ClNO3S — CID 87796889

IUPAC2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)c1sccc1Cl
InChIInChI=1S/C7H6ClNO3S/c1-12-9-5(7(10)11)6-4(8)2-3-13-6/h2-3H,1H3,(H,10,11)
InChIKeyUMDSRJJPMLYLOH-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid

2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid (PubChem CID 87796889) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid
PubChem CID87796889
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)c1sccc1Cl
InChIInChI=1S/C7H6ClNO3S/c1-12-9-5(7(10)11)6-4(8)2-3-13-6/h2-3H,1H3,(H,10,11)
InChIKeyUMDSRJJPMLYLOH-UHFFFAOYSA-N
XLogP1.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid (CID 87796889) is 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid is CON=C(C(=O)O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid?
The InChIKey is UMDSRJJPMLYLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c1-12-9-5(7(10)11)6-4(8)2-3-13-6/h2-3H,1H3,(H,10,11).
What are the key properties of 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid?
2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid has a molecular weight of 219.65 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 87796889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).