4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C12H7N3S — CID 86287812

IUPAC4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
InChIKeyBHEBICBPOTVZFO-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.16
Rot. Bonds1

About 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 86287812) has the molecular formula C12H7N3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID86287812
Molecular FormulaC12H7N3S
Molecular Weight225.28 g/mol
Exact Mass225.04
IUPAC Name4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
InChIKeyBHEBICBPOTVZFO-UHFFFAOYSA-N
XLogP3.16
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 86287812) is 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2nccc(-c3ccsc3)c12.
What is the InChIKey of 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is BHEBICBPOTVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15).
What are the key properties of 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 225.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 86287812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).