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CAS 1171919-00-8 2-Chloro-3,5-diiodo-4-pyridinamine molecular structure lightbox
CAS RN: 1171919-00-8

2-Chloro-3,5-diiodo-4-pyridinamine

  • Product code: SSC-017042
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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 1171919-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1171919-00-8 / 2-chloro-3,5-diiodopyridin-4-amine

2-chloro-3,5-diiodopyridin-4-amine | 2-chloro-3,5-diiodo-4-pyridinamine | DTXSID301296368

Standard CAS: 1171919-00-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1171919-00-8
Multi CAS
No
Molecular Formula
C5H3ClI2N2
Molecular Weight
380.350000
Exact Mass
379.807420
SMILES
C1=C(C(=C(C(=N1)Cl)I)N)I
InChI
InChI=1S/C5H3ClI2N2/c6-5-3(8)4(9)2(7)1-10-5/h1H,(H2,9,10)
InChIKey
ADBYPUPWCVKWCP-UHFFFAOYSA-N
Synonyms
2-chloro-3,5-diiodopyridin-4-amine 2-chloro-3,5-diiodo-4-pyridinamine DTXSID301296368 RefChem:468596 DTXCID301726878

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.09
TPSA
38.91

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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