5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine

C13H10N2S — CID 59128709

IUPAC5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(Sc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C13H10N2S/c1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h1-9H,(H,14,15)
InChIKeyQDVMTDLOWNMWRP-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.71
Rot. Bonds2

About 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine

5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59128709) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID59128709
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(Sc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C13H10N2S/c1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h1-9H,(H,14,15)
InChIKeyQDVMTDLOWNMWRP-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 67227937
5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 89409031
N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 59506846
N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 150987642
5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
CID 147597000
3-phenylsulfanyl-1,10-phenanthroline
CID 167351209
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine
CID 87653135
potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
CID 71763569
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
CID 160915943

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine (CID 59128709) is 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine is c1ccc(Sc2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QDVMTDLOWNMWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h1-9H,(H,14,15).
What are the key properties of 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 226.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59128709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).