2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine

C15H10ClNS2 — CID 2820903

IUPAC2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine
SMILESClc1cccc(Sc2ccc(-c3ccccn3)s2)c1
InChIInChI=1S/C15H10ClNS2/c16-11-4-3-5-12(10-11)18-15-8-7-14(19-15)13-6-1-2-9-17-13/h1-10H
InChIKeyOVDSJRWWDQHNEL-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.61
Rot. Bonds3

About 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine

2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine (PubChem CID 2820903) has the molecular formula C15H10ClNS2 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine
PubChem CID2820903
Molecular FormulaC15H10ClNS2
Molecular Weight303.84 g/mol
Exact Mass302.99
IUPAC Name2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine
SMILESClc1cccc(Sc2ccc(-c3ccccn3)s2)c1
InChIInChI=1S/C15H10ClNS2/c16-11-4-3-5-12(10-11)18-15-8-7-14(19-15)13-6-1-2-9-17-13/h1-10H
InChIKeyOVDSJRWWDQHNEL-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine?
The IUPAC name of 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine (CID 2820903) is 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine is Clc1cccc(Sc2ccc(-c3ccccn3)s2)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine?
The InChIKey is OVDSJRWWDQHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNS2/c16-11-4-3-5-12(10-11)18-15-8-7-14(19-15)13-6-1-2-9-17-13/h1-10H.
What are the key properties of 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine?
2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine has a molecular weight of 303.84 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine is sourced from PubChem (CID 2820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).