1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile

C12H11N3 — CID 67608539

IUPAC1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cn(C2CCC2)c2ncccc12
InChIInChI=1S/C12H11N3/c13-7-9-8-15(10-3-1-4-10)12-11(9)5-2-6-14-12/h2,5-6,8,10H,1,3-4H2
InChIKeyPBWMVBJWENJTSB-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.63
Rot. Bonds1

About 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile

1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 67608539) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID67608539
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cn(C2CCC2)c2ncccc12
InChIInChI=1S/C12H11N3/c13-7-9-8-15(10-3-1-4-10)12-11(9)5-2-6-14-12/h2,5-6,8,10H,1,3-4H2
InChIKeyPBWMVBJWENJTSB-UHFFFAOYSA-N
XLogP2.63
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile (CID 67608539) is 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1cn(C2CCC2)c2ncccc12.
What is the InChIKey of 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is PBWMVBJWENJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c13-7-9-8-15(10-3-1-4-10)12-11(9)5-2-6-14-12/h2,5-6,8,10H,1,3-4H2.
What are the key properties of 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile?
1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 67608539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).