![CAS 1220039-46-2 6-Iodo-pyrazolo[1,5-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1220039-46-2.gif)
CAS RN: 1220039-46-2
6-Iodo-pyrazolo[1,5-a]pyridine-3-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1220039-46-2
- Purity/Analytical Methods: >99.0%
1220039-46-2 / 6-iodopyrazolo[1,5-a]pyridine-3-carboxylic acid
Basic Information
CAS
1220039-46-2
Multi CAS
No
Molecular Formula
C8H5IN2O2
Molecular Weight
288.040000
Exact Mass
287.939570
SMILES
C1=CC2=C(C=NN2C=C1I)C(=O)O
InChI
InChI=1S/C8H5IN2O2/c9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h1-4H,(H,12,13)
InChIKey
USRMZLSAVLOZFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.87
TPSA
54.6
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
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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