CAS RN: 1065267-33-5
5-fluoro-a-Methyl-2-PyridineMethanaMine hydrochloride
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.20250320 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1065267-33-5
- Purity/Analytical Methods: >99.0%
1065267-33-5 / 1-(5-fluoro-2-pyridinyl)ethanamine;hydrochloride
1-(5-fluoropyridin-2-yl)ethanamine hydrochloride | 5-fluoro-a-methyl-2-Pyridinemethanamine hydrochloride | MFCD18384288
Basic Information
CAS
1065267-33-5
Multi CAS
No
Molecular Formula
C7H10ClFN2
Molecular Weight
176.620000
Exact Mass
176.051654
SMILES
CC(C1=NC=C(C=C1)F)N.Cl
InChI
InChI=1S/C7H9FN2.ClH/c1-5(9)7-3-2-6(8)4-10-7;/h2-5H,9H2,1H3;1H
InChIKey
XGSNHILBBHFTPS-UHFFFAOYSA-N
Synonyms
1-(5-fluoropyridin-2-yl)ethanamine hydrochloride
5-fluoro-a-methyl-2-Pyridinemethanamine hydrochloride
MFCD18384288
1-(5-Fluoropyridin-2-yl)ethanamine HCl
1-(5-Fluoropyridin-2-yl)ethan-1-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.05
TPSA
38.91
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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