6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one

C9H6ClNOS — CID 122200167

IUPAC6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2ccsc2Cl)[nH]1
InChIInChI=1S/C9H6ClNOS/c10-9-6(4-5-13-9)7-2-1-3-8(12)11-7/h1-5H,(H,11,12)
InChIKeyFKJONTSCACQNHB-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.76
Rot. Bonds1

About 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one

6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one (PubChem CID 122200167) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one
PubChem CID122200167
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2ccsc2Cl)[nH]1
InChIInChI=1S/C9H6ClNOS/c10-9-6(4-5-13-9)7-2-1-3-8(12)11-7/h1-5H,(H,11,12)
InChIKeyFKJONTSCACQNHB-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 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one (CID 122200167) is 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one is O=c1cccc(-c2ccsc2Cl)[nH]1.
What is the InChIKey of 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one?
The InChIKey is FKJONTSCACQNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-9-6(4-5-13-9)7-2-1-3-8(12)11-7/h1-5H,(H,11,12).
What are the key properties of 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one?
6-(2-chlorothiophen-3-yl)-1H-pyridin-2-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 6-(2-chlorothiophen-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 122200167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).