2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine

C12H17ClN2O — CID 54160529

IUPAC2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@H]2CCCN2)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/t10-/m1/s1
InChIKeyOOBNQDTYRFJFLD-SNVBAGLBSA-N
MW240.73 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine

2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54160529) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID54160529
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@H]2CCCN2)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/t10-/m1/s1
InChIKeyOOBNQDTYRFJFLD-SNVBAGLBSA-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-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (CID 54160529) is 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is CCc1cc(OC[C@H]2CCCN2)cnc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is OOBNQDTYRFJFLD-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of 2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]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-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54160529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).