2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H11ClFNS — CID 83741443

IUPAC2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1cccc(C2NCCc3sc(Cl)cc32)c1
InChIInChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)4-5-16-13(10)8-2-1-3-9(15)6-8/h1-3,6-7,13,16H,4-5H2
InChIKeyALXPQBIEAJOKHU-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.78
Rot. Bonds1

About 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 83741443) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID83741443
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1cccc(C2NCCc3sc(Cl)cc32)c1
InChIInChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)4-5-16-13(10)8-2-1-3-9(15)6-8/h1-3,6-7,13,16H,4-5H2
InChIKeyALXPQBIEAJOKHU-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 83741443) is 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Fc1cccc(C2NCCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is ALXPQBIEAJOKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)4-5-16-13(10)8-2-1-3-9(15)6-8/h1-3,6-7,13,16H,4-5H2.
What are the key properties of 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 267.76 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 83741443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).