2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide

C11H10INOS — CID 2767446

IUPAC2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide
SMILESO=C(C[n+]1ccccc1)c1cccs1.[I-]
InChIInChI=1S/C11H10NOS.HI/c13-10(11-5-4-8-14-11)9-12-6-2-1-3-7-12;/h1-8H,9H2;1H/q+1;/p-1
InChIKeyOZHGVNXQVNUPAX-UHFFFAOYSA-M
MW331.18 g/mol
LogP-1.08
Rot. Bonds3

About 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide

2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide (PubChem CID 2767446) has the molecular formula C11H10INOS and a molecular weight of 331.18 g/mol. Its IUPAC name is 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide.

Molecular Properties

Compound Name2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide
PubChem CID2767446
Molecular FormulaC11H10INOS
Molecular Weight331.18 g/mol
Exact Mass330.95
IUPAC Name2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide
SMILESO=C(C[n+]1ccccc1)c1cccs1.[I-]
InChIInChI=1S/C11H10NOS.HI/c13-10(11-5-4-8-14-11)9-12-6-2-1-3-7-12;/h1-8H,9H2;1H/q+1;/p-1
InChIKeyOZHGVNXQVNUPAX-UHFFFAOYSA-M
XLogP-1.08
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
1-(5-Chlorothiophen-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2342289
4-Dimethylamino-1-(2-oxo-2-thiophen-2-yl-ethyl)-pyridinium
CID 24746845
2,2,2-Trifluoro-1-[5-(2-pyridinyl)-2-thienyl]ethanone
CID 44541233
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
1-(2-(2-Thienyl)vinyl)pyridinium bromide
CID 6444197
3-Bromo-1-(2-oxo-2-thiophen-2-yl-ethyl)-pyridinium
CID 24747037
2-(1-Oxidopyridin-1-ium-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 2342471

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide?
The IUPAC name of 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide (CID 2767446) is 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide.
What is the SMILES notation for 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide?
The canonical SMILES for 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide is O=C(C[n+]1ccccc1)c1cccs1.[I-].
What is the InChIKey of 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide?
The InChIKey is OZHGVNXQVNUPAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10NOS.HI/c13-10(11-5-4-8-14-11)9-12-6-2-1-3-7-12;/h1-8H,9H2;1H/q+1;/p-1.
What are the key properties of 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide?
2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide has a molecular weight of 331.18 g/mol, XLogP of -1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone iodide is sourced from PubChem (CID 2767446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).