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CAS 188057-16-1 5-CHLORO-2-IODOPYRIDIN-3-OL molecular structure lightbox
CAS RN: 188057-16-1

5-CHLORO-2-IODOPYRIDIN-3-OL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS188057-16-1
  • Purity/Analytical Methods: >99.0%
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188057-16-1 / 5-chloro-2-iodopyridin-3-ol

Standard CAS: 188057-16-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
188057-16-1
Multi CAS
No
Molecular Formula
C5H3ClINO
Molecular Weight
255.440000
Exact Mass
254.894790
SMILES
C1=C(C=NC(=C1O)I)Cl
InChI
InChI=1S/C5H3ClINO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
InChIKey
YSXDMQDFLOQJNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.63
TPSA
33.12

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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