2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride

C11H13ClN2O — CID 175028694

IUPAC2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride
SMILESC#Cc1ccc(OC2CCNC2)cn1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-2-9-3-4-10(8-13-9)14-11-5-6-12-7-11;/h1,3-4,8,11-12H,5-7H2;1H
InChIKeyFDNLRVXWYDTJHX-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.23
Rot. Bonds2

About 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride

2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride (PubChem CID 175028694) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride.

Molecular Properties

Compound Name2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride
PubChem CID175028694
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride
SMILESC#Cc1ccc(OC2CCNC2)cn1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-2-9-3-4-10(8-13-9)14-11-5-6-12-7-11;/h1,3-4,8,11-12H,5-7H2;1H
InChIKeyFDNLRVXWYDTJHX-UHFFFAOYSA-N
XLogP1.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
2-nitro-5-pyrrolidin-3-yloxypyridine
CID 82237488
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
2-methyl-5-piperidin-3-yloxypyridine
CID 18712955
3-(4-methylphenoxy)pyrrolidine
CID 18337173
2-fluoro-5-piperidin-4-yloxypyridine
CID 75525923
2-iodo-5-piperidin-4-yloxypyridine
CID 134406589
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334
5-pyrrolidin-3-yloxy-1,2-benzothiazole
CID 84685930
5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 117230766
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride?
The IUPAC name of 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride (CID 175028694) is 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride.
What is the SMILES notation for 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride?
The canonical SMILES for 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride is C#Cc1ccc(OC2CCNC2)cn1.Cl.
What is the InChIKey of 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride?
The InChIKey is FDNLRVXWYDTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-2-9-3-4-10(8-13-9)14-11-5-6-12-7-11;/h1,3-4,8,11-12H,5-7H2;1H.
What are the key properties of 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride?
2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-5-pyrrolidin-3-yloxypyridine;hydrochloride is sourced from PubChem (CID 175028694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).