CAS RN: 6635-88-7
(1-OXY-PYRIDIN-3-YL)-ACETONITRILE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6635-88-7
- Purity/Analytical Methods: >99.0%
6635-88-7 / 2-(1-oxidopyridin-1-ium-3-yl)acetonitrile
Basic Information
CAS
6635-88-7
Multi CAS
Yes
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
InChI
InChI=1S/C7H6N2O/c8-4-3-7-2-1-5-9(10)6-7/h1-2,5-6H,3H2
InChIKey
OGPFILFOKYMAKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.72
TPSA
50.73
LogP / Solubility
WLOGP
0.39
MLOGP
0.33
XLogP3
-0.5
Consensus LogP
0.07
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
