(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate

C24H19NO2S — CID 140714321

IUPAC(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C24H19NO2S/c26-24(23-18-10-11-19-25-23)27-28(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyGEZKZGXLNSUDKD-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.14
Rot. Bonds5

About (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate

(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate (PubChem CID 140714321) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate
PubChem CID140714321
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C24H19NO2S/c26-24(23-18-10-11-19-25-23)27-28(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyGEZKZGXLNSUDKD-UHFFFAOYSA-N
XLogP6.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate?
The IUPAC name of (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate (CID 140714321) is (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate is O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate?
The InChIKey is GEZKZGXLNSUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c26-24(23-18-10-11-19-25-23)27-28(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate?
(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate has a molecular weight of 385.49 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) pyridine-2-carboxylate is sourced from PubChem (CID 140714321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).