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CAS 817618-55-6 6-Iodopyridine-3-carboxaldehyde molecular structure lightbox
CAS RN: 817618-55-6

6-Iodopyridine-3-carboxaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS817618-55-6
  • Purity/Analytical Methods: >99.0%
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817618-55-6 / 6-iodopyridine-3-carbaldehyde

Standard CAS: 817618-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
817618-55-6
Multi CAS
No
Molecular Formula
C6H4InO
Molecular Weight
233.010000
Exact Mass
232.933760
InChI
InChI=1S/C6H4INO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKey
FVXFNWUQVDZJPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.34
TPSA
29.96

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

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

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