4-pyridin-4-yl-1H-pyrrole-2-carbonitrile

C10H7N3 — CID 23390220

IUPAC4-pyridin-4-yl-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)c[nH]1
InChIInChI=1S/C10H7N3/c11-6-10-5-9(7-13-10)8-1-3-12-4-2-8/h1-5,7,13H
InChIKeySCVVEPJFSQHKPL-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.95
Rot. Bonds1

About 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile

4-pyridin-4-yl-1H-pyrrole-2-carbonitrile (PubChem CID 23390220) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-pyridin-4-yl-1H-pyrrole-2-carbonitrile
PubChem CID23390220
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name4-pyridin-4-yl-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)c[nH]1
InChIInChI=1S/C10H7N3/c11-6-10-5-9(7-13-10)8-1-3-12-4-2-8/h1-5,7,13H
InChIKeySCVVEPJFSQHKPL-UHFFFAOYSA-N
XLogP1.95
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile (CID 23390220) is 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile is N#Cc1cc(-c2ccncc2)c[nH]1.
What is the InChIKey of 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile?
The InChIKey is SCVVEPJFSQHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-6-10-5-9(7-13-10)8-1-3-12-4-2-8/h1-5,7,13H.
What are the key properties of 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile?
4-pyridin-4-yl-1H-pyrrole-2-carbonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 23390220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).