3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol

C13H12FNOS — CID 67782031

IUPAC3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol
SMILESOc1ccc(C2CNCc3ccsc32)c(F)c1
InChIInChI=1S/C13H12FNOS/c14-12-5-9(16)1-2-10(12)11-7-15-6-8-3-4-17-13(8)11/h1-5,11,15-16H,6-7H2
InChIKeyLGKFXHDEXINVRI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.83
Rot. Bonds1

About 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol

3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol (PubChem CID 67782031) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol
PubChem CID67782031
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol
SMILESOc1ccc(C2CNCc3ccsc32)c(F)c1
InChIInChI=1S/C13H12FNOS/c14-12-5-9(16)1-2-10(12)11-7-15-6-8-3-4-17-13(8)11/h1-5,11,15-16H,6-7H2
InChIKeyLGKFXHDEXINVRI-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol?
The IUPAC name of 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol (CID 67782031) is 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol?
The canonical SMILES for 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol is Oc1ccc(C2CNCc3ccsc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol?
The InChIKey is LGKFXHDEXINVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-12-5-9(16)1-2-10(12)11-7-15-6-8-3-4-17-13(8)11/h1-5,11,15-16H,6-7H2.
What are the key properties of 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol?
3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol has a molecular weight of 249.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)phenol is sourced from PubChem (CID 67782031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).