7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile

C9H7N3O2S — CID 54685589

IUPAC7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESCNc1sc2c(O)cc(=O)[nH]c2c1C#N
InChIInChI=1S/C9H7N3O2S/c1-11-9-4(3-10)7-8(15-9)5(13)2-6(14)12-7/h2,11H,1H3,(H2,12,13,14)
InChIKeyJXFBVECHBDPZSK-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.21
Rot. Bonds1

About 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile

7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 54685589) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
PubChem CID54685589
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESCNc1sc2c(O)cc(=O)[nH]c2c1C#N
InChIInChI=1S/C9H7N3O2S/c1-11-9-4(3-10)7-8(15-9)5(13)2-6(14)12-7/h2,11H,1H3,(H2,12,13,14)
InChIKeyJXFBVECHBDPZSK-UHFFFAOYSA-N
XLogP1.21
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile (CID 54685589) is 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile is CNc1sc2c(O)cc(=O)[nH]c2c1C#N.
What is the InChIKey of 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The InChIKey is JXFBVECHBDPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c1-11-9-4(3-10)7-8(15-9)5(13)2-6(14)12-7/h2,11H,1H3,(H2,12,13,14).
What are the key properties of 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 221.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(methylamino)-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 54685589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).