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CAS 5746-86-1 3-(2-Pyrrolidinyl)pyridine molecular structure lightbox
CAS RN: 5746-86-1

3-(2-Pyrrolidinyl)pyridine

  • Product code: SSC-165617
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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: 5g
  • 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 5746-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

5746-86-1 / 3-pyrrolidin-2-ylpyridine

Standard CAS: 5746-86-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5746-86-1
Multi CAS
Yes
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
InChI
InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
InChIKey
MYKUKUCHPMASKF-UHFFFAOYSA-N

Physical Properties

Boiling Point
270 °C
Physical Description
Hygroscopic liquid; Develops a mild amine odor; [Merck Index] Colorless or pale yellow liquid; Hygroscopic; Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.21
TPSA
24.92

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
0.2
Consensus LogP
1.01
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.55

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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