2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid

C20H14N2O2S — CID 753550

IUPAC2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)O
InChIInChI=1S/C20H14N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)22-20(17)25-13-19(23)24/h1-11H,13H2,(H,23,24)
InChIKeyGUHKKPYASPMLOV-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.46
Rot. Bonds5

About 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid (PubChem CID 753550) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid
PubChem CID753550
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)O
InChIInChI=1S/C20H14N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)22-20(17)25-13-19(23)24/h1-11H,13H2,(H,23,24)
InChIKeyGUHKKPYASPMLOV-UHFFFAOYSA-N
XLogP4.46
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid (CID 753550) is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)O.
What is the InChIKey of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid?
The InChIKey is GUHKKPYASPMLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)22-20(17)25-13-19(23)24/h1-11H,13H2,(H,23,24).
What are the key properties of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid?
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid has a molecular weight of 346.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid is sourced from PubChem (CID 753550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).