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CAS 1017793-20-2 2,5-Difluoro-4-iodopyridine molecular structure lightbox
CAS RN: 1017793-20-2

2,5-Difluoro-4-iodopyridine

  • Product code: SSC-002806
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 100g, 25g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1017793-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
100g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry
500g >95% 0 Out of Stock Shanghai Inquiry

1017793-20-2 / 2,5-difluoro-4-iodopyridine

2,5-DIFLUORO-4-IODOPYRIDINE | DTXSID40692903 | RefChem:247421

Standard CAS: 1017793-20-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1017793-20-2
Multi CAS
No
Molecular Formula
C5H2F2IN
Molecular Weight
240.980000
Exact Mass
240.920000
SMILES
C1=C(C(=CN=C1F)F)I
InChI
InChI=1S/C5H2F2IN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKey
OBVRKNZQNKGNTQ-UHFFFAOYSA-N
Synonyms
2,5-DIFLUORO-4-IODOPYRIDINE DTXSID40692903 RefChem:247421 DTXCID40643652 966-733-1

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.87
TPSA
12.89

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.8

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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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