4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine

C13H9F2NS — CID 121383814

IUPAC4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
SMILESFc1ccc(C2=NCCc3sccc32)c(F)c1
InChIInChI=1S/C13H9F2NS/c14-8-1-2-9(11(15)7-8)13-10-4-6-17-12(10)3-5-16-13/h1-2,4,6-7H,3,5H2
InChIKeyQSNPQWXUIXYJMN-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.42
Rot. Bonds1

About 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine

4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine (PubChem CID 121383814) has the molecular formula C13H9F2NS and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
PubChem CID121383814
Molecular FormulaC13H9F2NS
Molecular Weight249.28 g/mol
Exact Mass249.04
IUPAC Name4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
SMILESFc1ccc(C2=NCCc3sccc32)c(F)c1
InChIInChI=1S/C13H9F2NS/c14-8-1-2-9(11(15)7-8)13-10-4-6-17-12(10)3-5-16-13/h1-2,4,6-7H,3,5H2
InChIKeyQSNPQWXUIXYJMN-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine (CID 121383814) is 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine is Fc1ccc(C2=NCCc3sccc32)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
The InChIKey is QSNPQWXUIXYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NS/c14-8-1-2-9(11(15)7-8)13-10-4-6-17-12(10)3-5-16-13/h1-2,4,6-7H,3,5H2.
What are the key properties of 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine has a molecular weight of 249.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 121383814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).