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

C14H8FN3O2S — CID 54676489

IUPAC2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C14H8FN3O2S/c15-7-2-1-3-8(4-7)17-14-9(6-16)12-13(21-14)10(19)5-11(20)18-12/h1-5,17H,(H2,18,19,20)
InChIKeyQUYUSYKRTLHZPF-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.05
Rot. Bonds2

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

2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 54676489) has the molecular formula C14H8FN3O2S and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
PubChem CID54676489
Molecular FormulaC14H8FN3O2S
Molecular Weight301.30 g/mol
Exact Mass301.03
IUPAC Name2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C14H8FN3O2S/c15-7-2-1-3-8(4-7)17-14-9(6-16)12-13(21-14)10(19)5-11(20)18-12/h1-5,17H,(H2,18,19,20)
InChIKeyQUYUSYKRTLHZPF-UHFFFAOYSA-N
XLogP3.05
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile (CID 54676489) is 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile is N#Cc1c(Nc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
The InChIKey is QUYUSYKRTLHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O2S/c15-7-2-1-3-8(4-7)17-14-9(6-16)12-13(21-14)10(19)5-11(20)18-12/h1-5,17H,(H2,18,19,20).
What are the key properties of 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile?
2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 301.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 54676489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).