2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile

C9H7N3 — CID 19009189

IUPAC2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile
SMILESN#CCn1ccc2cccnc21
InChIInChI=1S/C9H7N3/c10-4-7-12-6-3-8-2-1-5-11-9(8)12/h1-3,5-6H,7H2
InChIKeyQFRSJEMJAHKICE-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.56
Rot. Bonds1

About 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile

2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile (PubChem CID 19009189) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile.

Molecular Properties

Compound Name2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile
PubChem CID19009189
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile
SMILESN#CCn1ccc2cccnc21
InChIInChI=1S/C9H7N3/c10-4-7-12-6-3-8-2-1-5-11-9(8)12/h1-3,5-6H,7H2
InChIKeyQFRSJEMJAHKICE-UHFFFAOYSA-N
XLogP1.56
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile?
The IUPAC name of 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile (CID 19009189) is 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile.
What is the SMILES notation for 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile?
The canonical SMILES for 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile is N#CCn1ccc2cccnc21.
What is the InChIKey of 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile?
The InChIKey is QFRSJEMJAHKICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-4-7-12-6-3-8-2-1-5-11-9(8)12/h1-3,5-6H,7H2.
What are the key properties of 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile?
2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolo[2,3-b]pyridin-1-ylacetonitrile is sourced from PubChem (CID 19009189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).