2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile

C13H16ClN3 — CID 83220184

IUPAC2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESCCC1CCC(C)N1c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H16ClN3/c1-3-11-5-4-9(2)17(11)13-7-10(8-15)6-12(14)16-13/h6-7,9,11H,3-5H2,1-2H3
InChIKeyAKCYOCDLBMQGMM-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.37
Rot. Bonds2

About 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile

2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile (PubChem CID 83220184) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
PubChem CID83220184
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESCCC1CCC(C)N1c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H16ClN3/c1-3-11-5-4-9(2)17(11)13-7-10(8-15)6-12(14)16-13/h6-7,9,11H,3-5H2,1-2H3
InChIKeyAKCYOCDLBMQGMM-UHFFFAOYSA-N
XLogP3.37
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile (CID 83220184) is 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile is CCC1CCC(C)N1c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is AKCYOCDLBMQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-11-5-4-9(2)17(11)13-7-10(8-15)6-12(14)16-13/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile?
2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 249.74 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 83220184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).