2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one

C9H6ClNOS — CID 107362477

IUPAC2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2sccc2Cl)c1
InChIInChI=1S/C9H6ClNOS/c10-7-2-4-13-9(7)8-5-6(12)1-3-11-8/h1-5H,(H,11,12)
InChIKeyPZMQIXCNNRZHEL-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.76
Rot. Bonds1

About 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one

2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one (PubChem CID 107362477) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one
PubChem CID107362477
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2sccc2Cl)c1
InChIInChI=1S/C9H6ClNOS/c10-7-2-4-13-9(7)8-5-6(12)1-3-11-8/h1-5H,(H,11,12)
InChIKeyPZMQIXCNNRZHEL-UHFFFAOYSA-N
XLogP2.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one (CID 107362477) is 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2sccc2Cl)c1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one?
The InChIKey is PZMQIXCNNRZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-7-2-4-13-9(7)8-5-6(12)1-3-11-8/h1-5H,(H,11,12).
What are the key properties of 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one?
2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one has a molecular weight of 211.67 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 107362477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).