CAS RN: 76196-67-3
3-Pyridinecarboxylicacid,6-(aminomethyl)-(9CI)
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.20250716 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS76196-67-3
- Purity/Analytical Methods: >99.0%
76196-67-3 / 6-(aminomethyl)pyridine-3-carboxylic acid
Basic Information
CAS
76196-67-3
Multi CAS
Yes
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
InChI
InChI=1S/C7H8N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,3,8H2,(H,10,11)
InChIKey
KKVJAULLCCGPBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.09
TPSA
76.21
LogP / Solubility
WLOGP
0.24
MLOGP
0.2
XLogP3
-3
Consensus LogP
-0.85
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
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)
-3.48
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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