CAS RN: 1221791-98-5
3-Cyano-6-cyclopropyl-2-pyridinecarboxylic acid
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.20250819 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1221791-98-5
- Purity/Analytical Methods: >99.0%
1221791-98-5 / 3-cyano-6-cyclopropylpyridine-2-carboxylic acid
Basic Information
CAS
1221791-98-5
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1CC1C2=NC(=C(C=C2)C#N)C(=O)O
InChI
InChI=1S/C10H8N2O2/c11-5-7-3-4-8(6-1-2-6)12-9(7)10(13)14/h3-4,6H,1-2H2,(H,13,14)
InChIKey
NYZGRUMLPUNICU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.89
TPSA
73.98
LogP / Solubility
WLOGP
1.53
MLOGP
1.34
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.78
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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