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

C9H6ClNOS — CID 131113783

IUPAC2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccsc2Cl)c1
InChIInChI=1S/C9H6ClNOS/c10-9-7(2-4-13-9)8-5-6(12)1-3-11-8/h1-5H,(H,11,12)
InChIKeySAKRUQAZDKGCCI-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.76
Rot. Bonds1

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

2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one (PubChem CID 131113783) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one
PubChem CID131113783
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccsc2Cl)c1
InChIInChI=1S/C9H6ClNOS/c10-9-7(2-4-13-9)8-5-6(12)1-3-11-8/h1-5H,(H,11,12)
InChIKeySAKRUQAZDKGCCI-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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Related Compounds

2-(Thiophen-3-yl)pyridin-4(1H)-one
CID 45787889
2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
CID 67880219
2-(4-chloro-2-methylthiophen-3-yl)-1H-pyridin-4-one
CID 68112859
5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one
CID 176681913
2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one
CID 106519910
2-(3-chlorothiophen-2-yl)-1H-pyridin-4-one
CID 107362477
6-(2-Chloro-3-thienyl)-2(1H)-pyridinone
CID 122200167
3-Amino-1-[(5-chlorothiophen-3-yl)methyl]-1,4-dihydropyridin-4-one
CID 165473774
3-Amino-1-[(2-chlorothiophen-3-yl)methyl]-1,4-dihydropyridin-4-one
CID 165607393

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one (CID 131113783) is 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccsc2Cl)c1.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one?
The InChIKey is SAKRUQAZDKGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-9-7(2-4-13-9)8-5-6(12)1-3-11-8/h1-5H,(H,11,12).
What are the key properties of 2-(2-chlorothiophen-3-yl)-1H-pyridin-4-one?
2-(2-chlorothiophen-3-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-(2-chlorothiophen-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 131113783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).