7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile

C9H6N2O2S — CID 164596407

IUPAC7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile
SMILESCn1c(=O)c(C#N)c(O)c2sccc21
InChIInChI=1S/C9H6N2O2S/c1-11-6-2-3-14-8(6)7(12)5(4-10)9(11)13/h2-3,12H,1H3
InChIKeyDSLYOISMPJKFIV-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.18
Rot. Bonds

About 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile

7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 164596407) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile
PubChem CID164596407
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile
SMILESCn1c(=O)c(C#N)c(O)c2sccc21
InChIInChI=1S/C9H6N2O2S/c1-11-6-2-3-14-8(6)7(12)5(4-10)9(11)13/h2-3,12H,1H3
InChIKeyDSLYOISMPJKFIV-UHFFFAOYSA-N
XLogP1.18
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile (CID 164596407) is 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile is Cn1c(=O)c(C#N)c(O)c2sccc21.
What is the InChIKey of 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is DSLYOISMPJKFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c1-11-6-2-3-14-8(6)7(12)5(4-10)9(11)13/h2-3,12H,1H3.
What are the key properties of 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile?
7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 206.23 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 164596407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).