CAS RN: 1050610-67-7
Methyl 3-(aMinoMethyl)picolinate hydrochloride
- Product code: SSC-006838
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1050610-67-7 / methyl 3-(aminomethyl)pyridine-2-carboxylate;hydrochloride
Methyl 3-(aminomethyl)picolinate hydrochloride | MFCD18803178 | methyl 3-(aminomethyl)pyridine-2-carboxylate;hydrochloride
Basic Information
CAS
1050610-67-7
Multi CAS
No
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
SMILES
COC(=O)C1=C(C=CC=N1)CN.Cl
InChI
InChI=1S/C8H10N2O2.ClH/c1-12-8(11)7-6(5-9)3-2-4-10-7;/h2-4H,5,9H2,1H3;1H
InChIKey
KNPNDLVSSZILGW-UHFFFAOYSA-N
Synonyms
Methyl 3-(aminomethyl)picolinate hydrochloride
MFCD18803178
methyl 3-(aminomethyl)pyridine-2-carboxylate;hydrochloride
METHYL 3-(AMINOMETHYL)PYRIDINE-2-CARBOXYLATE HYDROCHLORIDE
Methyl3-(aminomethyl)pyridine-2-carboxylate;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.72
TPSA
65.21
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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