1-pyridin-2-ylpyrrole-2-carbonitrile

C10H7N3 — CID 114653179

IUPAC1-pyridin-2-ylpyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ccccn1
InChIInChI=1S/C10H7N3/c11-8-9-4-3-7-13(9)10-5-1-2-6-12-10/h1-7H
InChIKeyNULJHNLKLWNEDB-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.74
Rot. Bonds1

About 1-pyridin-2-ylpyrrole-2-carbonitrile

1-pyridin-2-ylpyrrole-2-carbonitrile (PubChem CID 114653179) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-pyridin-2-ylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-pyridin-2-ylpyrrole-2-carbonitrile
PubChem CID114653179
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name1-pyridin-2-ylpyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ccccn1
InChIInChI=1S/C10H7N3/c11-8-9-4-3-7-13(9)10-5-1-2-6-12-10/h1-7H
InChIKeyNULJHNLKLWNEDB-UHFFFAOYSA-N
XLogP1.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pyridin-2-ylpyrrole-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpyrrole-2-carbonitrile?
The IUPAC name of 1-pyridin-2-ylpyrrole-2-carbonitrile (CID 114653179) is 1-pyridin-2-ylpyrrole-2-carbonitrile.
What is the SMILES notation for 1-pyridin-2-ylpyrrole-2-carbonitrile?
The canonical SMILES for 1-pyridin-2-ylpyrrole-2-carbonitrile is N#Cc1cccn1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylpyrrole-2-carbonitrile?
The InChIKey is NULJHNLKLWNEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-8-9-4-3-7-13(9)10-5-1-2-6-12-10/h1-7H.
What are the key properties of 1-pyridin-2-ylpyrrole-2-carbonitrile?
1-pyridin-2-ylpyrrole-2-carbonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpyrrole-2-carbonitrile is sourced from PubChem (CID 114653179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).