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CAS 1213093-30-1 3-((2R)pyrrolidin-2-yl)-5-fluoro-2-methoxypyridine molecular structure lightbox
CAS RN: 1213093-30-1

3-((2R)pyrrolidin-2-yl)-5-fluoro-2-methoxypyridine

  • Product code: SSC-023224
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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: 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 1213093-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1213093-30-1 / 5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine

(R)-5-fluoro-2-methoxy-3-(pyrrolidin-2-yl)pyridine | 5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine | MFCD11863998

Standard CAS: 1213093-30-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213093-30-1
Multi CAS
Yes
Molecular Formula
C10H13FN2O
Molecular Weight
196.220000
Exact Mass
196.101191
SMILES
COC1=C(C=C(C=N1)F)[C@H]2CCCN2
InChI
InChI=1S/C10H13FN2O/c1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9/h5-6,9,12H,2-4H2,1H3/t9-/m1/s1
InChIKey
IYJLJHGSNXDVPN-SECBINFHSA-N
Synonyms
(R)-5-fluoro-2-methoxy-3-(pyrrolidin-2-yl)pyridine 5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine MFCD11863998 (R)-5-Fluoro-2-methoxy-3-(2-pyrrolidinyl)pyridine 3-((2R)PYRROLIDIN-2-YL)-5-FLUORO-2-METHOXYPYRIDINE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.72
TPSA
34.15

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.1
Consensus LogP
1.4
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.74

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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