6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile

C10H7N3 — CID 91900843

IUPAC6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc[nH]2)n1
InChIInChI=1S/C10H7N3/c11-7-8-3-1-4-10(13-8)9-5-2-6-12-9/h1-6,12H
InChIKeyPBUHHPOPTVGGMY-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.95
Rot. Bonds1

About 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile

6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile (PubChem CID 91900843) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile
PubChem CID91900843
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc[nH]2)n1
InChIInChI=1S/C10H7N3/c11-7-8-3-1-4-10(13-8)9-5-2-6-12-9/h1-6,12H
InChIKeyPBUHHPOPTVGGMY-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 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile (CID 91900843) is 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile is N#Cc1cccc(-c2ccc[nH]2)n1.
What is the InChIKey of 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile?
The InChIKey is PBUHHPOPTVGGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-7-8-3-1-4-10(13-8)9-5-2-6-12-9/h1-6,12H.
What are the key properties of 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile?
6-(1H-pyrrol-2-yl)pyridine-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 6-(1H-pyrrol-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 91900843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).