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CAS 13472-61-2 5-Iodo-2-methoxypyridine molecular structure lightbox
CAS RN: 13472-61-2

5-Iodo-2-methoxypyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-042641
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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: 25g
  • Available purity: 98%
  • 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 13472-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 98% 0 Out of Stock Hong Kong Inquiry

13472-61-2 / 5-iodo-2-methoxypyridine

Standard CAS: 13472-61-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13472-61-2
Multi CAS
No
Molecular Formula
C6H6INO
Molecular Weight
235.020000
Exact Mass
234.949410
SMILES
COC1=NC=C(C=C1)I
InChI
InChI=1S/C6H6INO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKey
NTXRNCUPGYOZCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.51
TPSA
22.12

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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