3-chloro-N-hydroxythiophene-2-carboxamide

C5H4ClNO2S — CID 59191010

IUPAC3-chloro-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1sccc1Cl
InChIInChI=1S/C5H4ClNO2S/c6-3-1-2-10-4(3)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyJCVOPERQYZNOTE-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.52
Rot. Bonds1

About 3-chloro-N-hydroxythiophene-2-carboxamide

3-chloro-N-hydroxythiophene-2-carboxamide (PubChem CID 59191010) has the molecular formula C5H4ClNO2S and a molecular weight of 177.61 g/mol. Its IUPAC name is 3-chloro-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-hydroxythiophene-2-carboxamide
PubChem CID59191010
Molecular FormulaC5H4ClNO2S
Molecular Weight177.61 g/mol
Exact Mass176.97
IUPAC Name3-chloro-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1sccc1Cl
InChIInChI=1S/C5H4ClNO2S/c6-3-1-2-10-4(3)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyJCVOPERQYZNOTE-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 3-chloro-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-hydroxythiophene-2-carboxamide (CID 59191010) is 3-chloro-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-hydroxythiophene-2-carboxamide is O=C(NO)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-hydroxythiophene-2-carboxamide?
The InChIKey is JCVOPERQYZNOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S/c6-3-1-2-10-4(3)5(8)7-9/h1-2,9H,(H,7,8).
What are the key properties of 3-chloro-N-hydroxythiophene-2-carboxamide?
3-chloro-N-hydroxythiophene-2-carboxamide has a molecular weight of 177.61 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 59191010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).