5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile

C13H9N3S — CID 129204364

IUPAC5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile
SMILESN#Cc1csc(Cn2ccc3ccncc32)c1
InChIInChI=1S/C13H9N3S/c14-6-10-5-12(17-9-10)8-16-4-2-11-1-3-15-7-13(11)16/h1-5,7,9H,8H2
InChIKeyONZKNEGVQXAIOR-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.02
Rot. Bonds2

About 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile

5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile (PubChem CID 129204364) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile
PubChem CID129204364
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile
SMILESN#Cc1csc(Cn2ccc3ccncc32)c1
InChIInChI=1S/C13H9N3S/c14-6-10-5-12(17-9-10)8-16-4-2-11-1-3-15-7-13(11)16/h1-5,7,9H,8H2
InChIKeyONZKNEGVQXAIOR-UHFFFAOYSA-N
XLogP3.02
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile?
The IUPAC name of 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile (CID 129204364) is 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile?
The canonical SMILES for 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile is N#Cc1csc(Cn2ccc3ccncc32)c1.
What is the InChIKey of 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile?
The InChIKey is ONZKNEGVQXAIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c14-6-10-5-12(17-9-10)8-16-4-2-11-1-3-15-7-13(11)16/h1-5,7,9H,8H2.
What are the key properties of 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile?
5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 129204364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).