3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine

C11H15N5 — CID 129495697

IUPAC3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine
SMILES[N-]=[N+]=NCCN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C11H15N5/c12-15-14-6-8-16-7-2-4-11(16)10-3-1-5-13-9-10/h1,3,5,9,11H,2,4,6-8H2/t11-/m0/s1
InChIKeyDMQGNQOVWCQHKB-NSHDSACASA-N
MW217.28 g/mol
LogP2.53
Rot. Bonds4

About 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine

3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine (PubChem CID 129495697) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine
PubChem CID129495697
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine
SMILES[N-]=[N+]=NCCN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C11H15N5/c12-15-14-6-8-16-7-2-4-11(16)10-3-1-5-13-9-10/h1,3,5,9,11H,2,4,6-8H2/t11-/m0/s1
InChIKeyDMQGNQOVWCQHKB-NSHDSACASA-N
XLogP2.53
TPSA64.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine (CID 129495697) is 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine is [N-]=[N+]=NCCN1CCC[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is DMQGNQOVWCQHKB-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N5/c12-15-14-6-8-16-7-2-4-11(16)10-3-1-5-13-9-10/h1,3,5,9,11H,2,4,6-8H2/t11-/m0/s1.
What are the key properties of 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine?
3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 217.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 129495697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).