2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine

C12H17ClN2O — CID 23227116

IUPAC2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCc1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-9-6-11(7-15-12(9)13)16-8-10-4-3-5-14-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyOOBNQDTYRFJFLD-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine

2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 23227116) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID23227116
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCc1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-9-6-11(7-15-12(9)13)16-8-10-4-3-5-14-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyOOBNQDTYRFJFLD-UHFFFAOYSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 23227116) is 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine is CCc1cc(OCC2CCCN2)cnc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is OOBNQDTYRFJFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-9-6-11(7-15-12(9)13)16-8-10-4-3-5-14-10/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 240.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 23227116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).