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

C13H19ClN2O — CID 54425007

IUPAC2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCCc1cc(OC[C@H]2CCCN2)cnc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-4-10-7-12(8-16-13(10)14)17-9-11-5-3-6-15-11/h7-8,11,15H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyWDLYYBJLMBTKAH-LLVKDONJSA-N
MW254.76 g/mol
LogP2.82
Rot. Bonds5

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

2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54425007) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID54425007
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCCc1cc(OC[C@H]2CCCN2)cnc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-4-10-7-12(8-16-13(10)14)17-9-11-5-3-6-15-11/h7-8,11,15H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyWDLYYBJLMBTKAH-LLVKDONJSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.82
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-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (CID 54425007) is 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is CCCc1cc(OC[C@H]2CCCN2)cnc1Cl.
What is the InChIKey of 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is WDLYYBJLMBTKAH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-4-10-7-12(8-16-13(10)14)17-9-11-5-3-6-15-11/h7-8,11,15H,2-6,9H2,1H3/t11-/m1/s1.
What are the key properties of 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54425007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).