2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine

C11H11ClN2O — CID 10353535

IUPAC2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESC#Cc1cc(O[C@@H]2CCNC2)cnc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-8-5-10(7-14-11(8)12)15-9-3-4-13-6-9/h1,5,7,9,13H,3-4,6H2/t9-/m1/s1
InChIKeyYTDGVDAXBVVHBU-SECBINFHSA-N
MW222.67 g/mol
LogP1.46
Rot. Bonds2

About 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine

2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine (PubChem CID 10353535) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine
PubChem CID10353535
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESC#Cc1cc(O[C@@H]2CCNC2)cnc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-8-5-10(7-14-11(8)12)15-9-3-4-13-6-9/h1,5,7,9,13H,3-4,6H2/t9-/m1/s1
InChIKeyYTDGVDAXBVVHBU-SECBINFHSA-N
XLogP1.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine (CID 10353535) is 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine is C#Cc1cc(O[C@@H]2CCNC2)cnc1Cl.
What is the InChIKey of 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
The InChIKey is YTDGVDAXBVVHBU-SECBINFHSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-8-5-10(7-14-11(8)12)15-9-3-4-13-6-9/h1,5,7,9,13H,3-4,6H2/t9-/m1/s1.
What are the key properties of 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine has a molecular weight of 222.67 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethynyl-5-[(3R)-pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 10353535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).