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CAS 114821-24-8 4-CYANO-2-IODOPYRIDINE molecular structure lightbox
CAS RN: 114821-24-8

4-CYANO-2-IODOPYRIDINE

  • Product code: SSC-014556
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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 114821-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

114821-24-8 / 2-iodopyridine-4-carbonitrile

2-Iodopyridine-4-carbonitrile | DTXSID00649559 | RefChem:262278

Standard CAS: 114821-24-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114821-24-8
Multi CAS
No
Molecular Formula
C6H3IN2
Molecular Weight
230.010000
Exact Mass
229.934100
SMILES
C1=CN=C(C=C1C#N)I
InChI
InChI=1S/C6H3IN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKey
RAMAPMJJBMFFEI-UHFFFAOYSA-N
Synonyms
2-Iodopyridine-4-carbonitrile DTXSID00649559 RefChem:262278 DTXCID20600309 677-830-0

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
41.67
TPSA
36.68

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.1
Consensus LogP
1.34
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.02

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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