2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one

C9H6ClNOS — CID 106519910

IUPAC2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccc(Cl)s2)c1
InChIInChI=1S/C9H6ClNOS/c10-9-2-1-8(13-9)7-5-6(12)3-4-11-7/h1-5H,(H,11,12)
InChIKeyQKWDJNJEOSVIPE-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.76
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one

2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one (PubChem CID 106519910) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one
PubChem CID106519910
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccc(Cl)s2)c1
InChIInChI=1S/C9H6ClNOS/c10-9-2-1-8(13-9)7-5-6(12)3-4-11-7/h1-5H,(H,11,12)
InChIKeyQKWDJNJEOSVIPE-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

4-(5-chlorothiophen-2-yl)-1,3-dihydroimidazol-2-one
CID 116879669
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
CID 67880219
3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
CID 117144395
2-(5-chlorothiophen-2-yl)-1H-indole
CID 56687027
2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile
CID 15296964
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid
CID 71757494
3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one
CID 11117050
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
CID 64983084
2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole
CID 131886787
4-(5-chlorothiophen-2-yl)-1H-pyrazole
CID 901421
5-chloro-3-(5-chlorothiophen-2-yl)pyridazine
CID 117106403

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one (CID 106519910) is 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccc(Cl)s2)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one?
The InChIKey is QKWDJNJEOSVIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-9-2-1-8(13-9)7-5-6(12)3-4-11-7/h1-5H,(H,11,12).
What are the key properties of 2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one?
2-(5-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-(5-chlorothiophen-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 106519910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).