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CAS 101832-65-9 (S)-3-(PYRROLIDIN-2-YL)PYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 101832-65-9

(S)-3-(PYRROLIDIN-2-YL)PYRIDINE HYDROCHLORIDE

  • Product code: SSC-002862
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101832-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

101832-65-9 / 3-pyrrolidin-2-ylpyridine;hydrochloride

DTXSID70906707 | 3-(Pyrrolidin-2-yl)pyridine--hydrogen chloride (1/1) | RefChem:1067236

Standard CAS: 101832-65-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101832-65-9
Multi CAS
Yes
Molecular Formula
C9H13ClN2
Molecular Weight
184.660000
Exact Mass
184.076726
SMILES
C1CC(NC1)C2=CN=CC=C2.Cl
InChI
InChI=1S/C9H12N2.ClH/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h1,3,5,7,9,11H,2,4,6H2;1H
InChIKey
JRTXSGXQWWLEEU-UHFFFAOYSA-N
Synonyms
DTXSID70906707 3-(Pyrrolidin-2-yl)pyridine--hydrogen chloride (1/1) RefChem:1067236 DTXCID701335803 Nornicotine, hydrochloride, (+)-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.46
TPSA
24.92

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
1.93
Consensus LogP
1.85
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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