2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one

C10H8ClNOS — CID 67880219

IUPAC2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
SMILESCc1scc(-c2cc(=O)cc[nH]2)c1Cl
InChIInChI=1S/C10H8ClNOS/c1-6-10(11)8(5-14-6)9-4-7(13)2-3-12-9/h2-5H,1H3,(H,12,13)
InChIKeyOESXCJDHEOYYCJ-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.07
Rot. Bonds1

About 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one

2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one (PubChem CID 67880219) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
PubChem CID67880219
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
SMILESCc1scc(-c2cc(=O)cc[nH]2)c1Cl
InChIInChI=1S/C10H8ClNOS/c1-6-10(11)8(5-14-6)9-4-7(13)2-3-12-9/h2-5H,1H3,(H,12,13)
InChIKeyOESXCJDHEOYYCJ-UHFFFAOYSA-N
XLogP3.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one (CID 67880219) is 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one is Cc1scc(-c2cc(=O)cc[nH]2)c1Cl.
What is the InChIKey of 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one?
The InChIKey is OESXCJDHEOYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-6-10(11)8(5-14-6)9-4-7(13)2-3-12-9/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one?
2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one has a molecular weight of 225.70 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 67880219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).