1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine

C19H16N2S — CID 19800209

IUPAC1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESc1ccc(SC2CN(c3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C19H16N2S/c1-3-8-15(9-4-1)21-14-18(17-12-7-13-20-19(17)21)22-16-10-5-2-6-11-16/h1-13,18H,14H2
InChIKeyXCRKLBKFSHXZOK-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.07
Rot. Bonds3

About 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine

1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 19800209) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID19800209
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESc1ccc(SC2CN(c3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C19H16N2S/c1-3-8-15(9-4-1)21-14-18(17-12-7-13-20-19(17)21)22-16-10-5-2-6-11-16/h1-13,18H,14H2
InChIKeyXCRKLBKFSHXZOK-UHFFFAOYSA-N
XLogP5.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 19800209) is 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine is c1ccc(SC2CN(c3ccccc3)c3ncccc32)cc1.
What is the InChIKey of 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is XCRKLBKFSHXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-3-8-15(9-4-1)21-14-18(17-12-7-13-20-19(17)21)22-16-10-5-2-6-11-16/h1-13,18H,14H2.
What are the key properties of 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine?
1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 304.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19800209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).