2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

C11H9ClN4 — CID 46927952

IUPAC2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N2CCCC2)nc1Cl
InChIInChI=1S/C11H9ClN4/c12-10-8(6-13)5-9(7-14)11(15-10)16-3-1-2-4-16/h5H,1-4H2
InChIKeyWMQKQIANCLIHOB-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.08
Rot. Bonds1

About 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 46927952) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID46927952
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N2CCCC2)nc1Cl
InChIInChI=1S/C11H9ClN4/c12-10-8(6-13)5-9(7-14)11(15-10)16-3-1-2-4-16/h5H,1-4H2
InChIKeyWMQKQIANCLIHOB-UHFFFAOYSA-N
XLogP2.08
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (CID 46927952) is 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(N2CCCC2)nc1Cl.
What is the InChIKey of 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is WMQKQIANCLIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-10-8(6-13)5-9(7-14)11(15-10)16-3-1-2-4-16/h5H,1-4H2.
What are the key properties of 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 232.67 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 46927952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).