2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine

C17H20ClN3O — CID 11809281

IUPAC2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESClc1ncc(OCC2CCCN2)cc1CCc1ccncc1
InChIInChI=1S/C17H20ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h5-6,8-11,15,20H,1-4,7,12H2
InChIKeyHRYLYBCPJBXHTH-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.05
Rot. Bonds6

About 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine

2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 11809281) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID11809281
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESClc1ncc(OCC2CCCN2)cc1CCc1ccncc1
InChIInChI=1S/C17H20ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h5-6,8-11,15,20H,1-4,7,12H2
InChIKeyHRYLYBCPJBXHTH-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
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-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 11809281) is 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine is Clc1ncc(OCC2CCCN2)cc1CCc1ccncc1.
What is the InChIKey of 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is HRYLYBCPJBXHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h5-6,8-11,15,20H,1-4,7,12H2.
What are the key properties of 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 317.82 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-pyridin-4-ylethyl)-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 11809281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).