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CAS 153035-09-7 3-FLUORO-2-IODOPYRIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 153035-09-7

3-FLUORO-2-IODOPYRIDINE-4-CARBOXYLIC ACID

  • Product code: SSC-062655
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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 153035-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

153035-09-7 / 3-fluoro-2-iodopyridine-4-carboxylic acid

Standard CAS: 153035-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153035-09-7
Multi CAS
No
Molecular Formula
C6H3FINO2
Molecular Weight
267.000000
Exact Mass
266.919250
SMILES
C1=CN=C(C(=C1C(=O)O)F)I
InChI
InChI=1S/C6H3FINO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)
InChIKey
WMTJOHUCCVVQSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.87
TPSA
50.19

LogP / Solubility

WLOGP
1.52
MLOGP
1.35
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.27

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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