5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile

C12H13N3 — CID 89127055

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C2CC3CCC2N3)cn1
InChIInChI=1S/C12H13N3/c13-6-10-2-1-8(7-14-10)11-5-9-3-4-12(11)15-9/h1-2,7,9,11-12,15H,3-5H2
InChIKeyIRDBBXOWPKFCOP-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.56
Rot. Bonds1

About 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile

5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile (PubChem CID 89127055) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile
PubChem CID89127055
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C2CC3CCC2N3)cn1
InChIInChI=1S/C12H13N3/c13-6-10-2-1-8(7-14-10)11-5-9-3-4-12(11)15-9/h1-2,7,9,11-12,15H,3-5H2
InChIKeyIRDBBXOWPKFCOP-UHFFFAOYSA-N
XLogP1.56
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile (CID 89127055) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile is N#Cc1ccc(C2CC3CCC2N3)cn1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile?
The InChIKey is IRDBBXOWPKFCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-6-10-2-1-8(7-14-10)11-5-9-3-4-12(11)15-9/h1-2,7,9,11-12,15H,3-5H2.
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile?
5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 89127055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).