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CAS 1203499-32-4 2-Fluoro-3-iodo-6-(pyrrolidin-1-yl)pyridine molecular structure lightbox
CAS RN: 1203499-32-4

2-Fluoro-3-iodo-6-(pyrrolidin-1-yl)pyridine

  • Product code: SSC-021199
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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 1203499-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1203499-32-4 / 2-fluoro-3-iodo-6-pyrrolidin-1-ylpyridine

2-Fluoro-3-iodo-6-(pyrrolidin-1-yl)pyridine | 2-fluoro-3-iodo-6-pyrrolidin-1-ylpyridine | MFCD13176639

Standard CAS: 1203499-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203499-32-4
Multi CAS
No
Molecular Formula
C9H10FIN2
Molecular Weight
292.090000
Exact Mass
291.987270
SMILES
C1CCN(C1)C2=NC(=C(C=C2)I)F
InChI
InChI=1S/C9H10FIN2/c10-9-7(11)3-4-8(12-9)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKey
QGVGKWCABZEKJP-UHFFFAOYSA-N
Synonyms
2-Fluoro-3-iodo-6-(pyrrolidin-1-yl)pyridine 2-fluoro-3-iodo-6-pyrrolidin-1-ylpyridine MFCD13176639 2-Fluoro-3-iodo-6-pyrrolidin-1-yl-pyridine DTXSID60673572

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.36
TPSA
16.13

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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