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CAS 180995-02-2 2-Amino-5-iodo-4-methylpyridine-3-carbonitrile molecular structure lightbox
CAS RN: 180995-02-2

2-Amino-5-iodo-4-methylpyridine-3-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082275
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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 180995-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

180995-02-2 / 2-amino-5-iodo-4-methylpyridine-3-carbonitrile

Standard CAS: 180995-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180995-02-2
Multi CAS
No
Molecular Formula
C7H6IN3
Molecular Weight
259.050000
Exact Mass
258.960640
SMILES
CC1=C(C(=NC=C1I)N)C#N
InChI
InChI=1S/C7H6IN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)
InChIKey
ZTQHKPCXMQZMFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.82
TPSA
62.7

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.8
Consensus LogP
1.51
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

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

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