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CAS 1360938-13-1 (6-chloro-5-iodopyridin-3-yl)Methanol molecular structure lightbox
CAS RN: 1360938-13-1

(6-chloro-5-iodopyridin-3-yl)Methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1360938-13-1
  • Purity/Analytical Methods: >99.0%
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1360938-13-1 / (6-chloro-5-iodo-3-pyridinyl)methanol

Standard CAS: 1360938-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360938-13-1
Multi CAS
No
Molecular Formula
C6H5ClINO
Molecular Weight
269.470000
Exact Mass
268.910440
SMILES
C1=C(C=NC(=C1I)Cl)CO
InChI
InChI=1S/C6H5ClINO/c7-6-5(8)1-4(3-10)2-9-6/h1-2,10H,3H2
InChIKey
LGCSOXVYLVIJLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.89
TPSA
33.12

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-3.06

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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