3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine

C12H14N2 — CID 10559473

IUPAC3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
SMILESC#Cc1cncc([C@H]2CCCN2C)c1
InChIInChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1
InChIKeyNUPUDYKEEJNZRG-GFCCVEGCSA-N
MW186.26 g/mol
LogP1.83
Rot. Bonds1

About 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine

3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 10559473) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID10559473
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
SMILESC#Cc1cncc([C@H]2CCCN2C)c1
InChIInChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1
InChIKeyNUPUDYKEEJNZRG-GFCCVEGCSA-N
XLogP1.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nicotine
CID 89594
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
Myosmine
CID 442649
N-Nitrosonornicotine
CID 12613538
Anabaseine
CID 18985
3-Butylpyridine
CID 10874
3-(1-Nitrosopyrrolidin-2-yl)pyridine
CID 27919
3-Pentylpyridine
CID 238307
(R)-Nicotine
CID 157672
3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine
CID 409

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine (CID 10559473) is 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine is C#Cc1cncc([C@H]2CCCN2C)c1.
What is the InChIKey of 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is NUPUDYKEEJNZRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1.
What are the key properties of 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine?
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 186.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 10559473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).