1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile

C11H8N2OS — CID 67868309

IUPAC1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccsc1-n1cccc(C#N)c1=O
InChIInChI=1S/C11H8N2OS/c1-8-4-6-15-11(8)13-5-2-3-9(7-12)10(13)14/h2-6H,1H3
InChIKeyQQSSVUKHUPKJRN-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.08
Rot. Bonds1

About 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile

1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile (PubChem CID 67868309) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile
PubChem CID67868309
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccsc1-n1cccc(C#N)c1=O
InChIInChI=1S/C11H8N2OS/c1-8-4-6-15-11(8)13-5-2-3-9(7-12)10(13)14/h2-6H,1H3
InChIKeyQQSSVUKHUPKJRN-UHFFFAOYSA-N
XLogP2.08
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile (CID 67868309) is 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile is Cc1ccsc1-n1cccc(C#N)c1=O.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile?
The InChIKey is QQSSVUKHUPKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-8-4-6-15-11(8)13-5-2-3-9(7-12)10(13)14/h2-6H,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile?
1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile has a molecular weight of 216.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 67868309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).