![CAS 1269479-13-1 1H-Pyrrolo[2,3-b]pyridine-2-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269479-13-1.gif)
CAS RN: 1269479-13-1
1H-Pyrrolo[2,3-b]pyridine-2-methanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260103 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1269479-13-1
- Purity/Analytical Methods: >99.0%
1269479-13-1 / 1H-pyrrolo[2,3-b]pyridin-2-ylmethanol
Basic Information
CAS
1269479-13-1
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
C1=CC2=C(NC(=C2)CO)N=C1
InChI
InChI=1S/C8H8N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-4,11H,5H2,(H,9,10)
InChIKey
XNNPFSSPGFCLLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.02
TPSA
48.91
LogP / Solubility
WLOGP
1.06
MLOGP
0.92
XLogP3
0.5
Consensus LogP
0.83
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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