[email protected]
CAS 101421-15-2 1-CYANO-2-IODO-5-NITROBENZENE molecular structure lightbox
CAS RN: 101421-15-2

1-CYANO-2-IODO-5-NITROBENZENE

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250110 1g Out of stock Inquiry
Batchno.20260316 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20260226 25g In stock Shenzhen Inquiry
Batchno.20260227 5g In stock Tianjin Inquiry
  • Product code: SSC-002263
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 101421-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101421-15-2 / 2-iodo-5-nitrobenzonitrile

2-iodo-5-nitrobenzonitrile | DTXSID90593537 | RefChem:262217

Standard CAS: 101421-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101421-15-2
Multi CAS
No
Molecular Formula
C7H3IN2O2
Molecular Weight
274.020000
Exact Mass
273.923920
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)I
InChI
InChI=1S/C7H3IN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
InChIKey
NMCINXJWGZFGMR-UHFFFAOYSA-N
Synonyms
2-iodo-5-nitrobenzonitrile DTXSID90593537 RefChem:262217 DTXCID30544301 1-CYANO-2-IODO-5-NITROBENZENE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.53
TPSA
66.93

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
2.1
Consensus LogP
2
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

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

Customers Also Viewed

Get In Touch

Contact Us