4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine

C15H16FNO2S — CID 19979559

IUPAC4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cc(F)c(C2CNC=C3SCC=C32)cc1OC
InChIInChI=1S/C15H16FNO2S/c1-18-13-5-10(12(16)6-14(13)19-2)11-7-17-8-15-9(11)3-4-20-15/h3,5-6,8,11,17H,4,7H2,1-2H3
InChIKeyYUWKAGOTKBKFSF-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.04
Rot. Bonds3

About 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine

4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine (PubChem CID 19979559) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine
PubChem CID19979559
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cc(F)c(C2CNC=C3SCC=C32)cc1OC
InChIInChI=1S/C15H16FNO2S/c1-18-13-5-10(12(16)6-14(13)19-2)11-7-17-8-15-9(11)3-4-20-15/h3,5-6,8,11,17H,4,7H2,1-2H3
InChIKeyYUWKAGOTKBKFSF-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine (CID 19979559) is 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine is COc1cc(F)c(C2CNC=C3SCC=C32)cc1OC.
What is the InChIKey of 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is YUWKAGOTKBKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-18-13-5-10(12(16)6-14(13)19-2)11-7-17-8-15-9(11)3-4-20-15/h3,5-6,8,11,17H,4,7H2,1-2H3.
What are the key properties of 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine?
4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 293.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4,5-dimethoxyphenyl)-2,4,5,6-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 19979559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).