CAS RN: 578007-67-7
2-AMINO-5-IODO-PYRIDINE-3-CARBALDEHYDE
Product Availability
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3 package records1 with current stock2 grade groups
- Product code: starshine_CAS578007-67-7
- Purity/Analytical Methods: >99.0%
578007-67-7 / 2-amino-5-iodopyridine-3-carbaldehyde
Basic Information
CAS
578007-67-7
Multi CAS
Yes
Molecular Formula
C6H5In2O
Molecular Weight
248.020000
Exact Mass
247.944660
InChI
InChI=1S/C6H5IN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-3H,(H2,8,9)
InChIKey
DSXSLRYMXWHNPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.75
TPSA
55.98
LogP / Solubility
WLOGP
1.08
MLOGP
0.96
XLogP3
1.2
Consensus LogP
1.08
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-3.47
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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