[email protected]
CAS 490039-73-1 2-IODONICOTINONITRILE 98 molecular structure lightbox
CAS RN: 490039-73-1

2-IODONICOTINONITRILE 98

  • Product code: SSC-155509
GET A QUOTE
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
Request Bulk Quote

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 490039-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

490039-73-1 / 2-iodopyridine-3-carbonitrile

Standard CAS: 490039-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
490039-73-1
Multi CAS
No
Molecular Formula
C6H3In2
Molecular Weight
230.010000
Exact Mass
229.934100
InChI
InChI=1S/C6H3IN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChIKey
DWOZARUWGMZCHN-UHFFFAOYSA-N

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
1.3
Consensus LogP
1.41
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

Customers Also Viewed

Get In Touch

Contact Us