5-pyridin-2-ylthiophene-2-carbonyl chloride

C10H6ClNOS — CID 2776199

IUPAC5-pyridin-2-ylthiophene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C10H6ClNOS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H
InChIKeyNAWHORNTKSFUCQ-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.19
Rot. Bonds2

About 5-pyridin-2-ylthiophene-2-carbonyl chloride

5-pyridin-2-ylthiophene-2-carbonyl chloride (PubChem CID 2776199) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 5-pyridin-2-ylthiophene-2-carbonyl chloride.

Molecular Properties

Compound Name5-pyridin-2-ylthiophene-2-carbonyl chloride
PubChem CID2776199
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name5-pyridin-2-ylthiophene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C10H6ClNOS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H
InChIKeyNAWHORNTKSFUCQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylthiophene-2-carbonyl chloride?
The IUPAC name of 5-pyridin-2-ylthiophene-2-carbonyl chloride (CID 2776199) is 5-pyridin-2-ylthiophene-2-carbonyl chloride.
What is the SMILES notation for 5-pyridin-2-ylthiophene-2-carbonyl chloride?
The canonical SMILES for 5-pyridin-2-ylthiophene-2-carbonyl chloride is O=C(Cl)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 5-pyridin-2-ylthiophene-2-carbonyl chloride?
The InChIKey is NAWHORNTKSFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H.
What are the key properties of 5-pyridin-2-ylthiophene-2-carbonyl chloride?
5-pyridin-2-ylthiophene-2-carbonyl chloride has a molecular weight of 223.68 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylthiophene-2-carbonyl chloride is sourced from PubChem (CID 2776199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).