3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one

C13H8ClNO2S — CID 142465160

IUPAC3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)s2)=C1c1cccnc1
InChIInChI=1S/C13H8ClNO2S/c14-11-4-3-10(18-11)9-7-17-13(16)12(9)8-2-1-5-15-6-8/h1-6H,7H2
InChIKeyKBZQKYBOIHFYEO-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.26
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one

3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one (PubChem CID 142465160) has the molecular formula C13H8ClNO2S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one
PubChem CID142465160
Molecular FormulaC13H8ClNO2S
Molecular Weight277.73 g/mol
Exact Mass277.00
IUPAC Name3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)s2)=C1c1cccnc1
InChIInChI=1S/C13H8ClNO2S/c14-11-4-3-10(18-11)9-7-17-13(16)12(9)8-2-1-5-15-6-8/h1-6H,7H2
InChIKeyKBZQKYBOIHFYEO-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one (CID 142465160) is 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one is O=C1OCC(c2ccc(Cl)s2)=C1c1cccnc1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one?
The InChIKey is KBZQKYBOIHFYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2S/c14-11-4-3-10(18-11)9-7-17-13(16)12(9)8-2-1-5-15-6-8/h1-6H,7H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one?
3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one has a molecular weight of 277.73 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one is sourced from PubChem (CID 142465160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).