CAS RN: 1174323-35-3
methyl 5-(difluoromethoxy)picolinate
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.20250212 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1174323-35-3
- Purity/Analytical Methods: >99.0%
1174323-35-3 / methyl 5-(difluoromethoxy)pyridine-2-carboxylate
methyl 5-(difluoromethoxy)picolinate | methyl 5-(difluoromethoxy)pyridine-2-carboxylate | MFCD22550529
Basic Information
CAS
1174323-35-3
Multi CAS
Yes
Molecular Formula
C8H7F2NO3
Molecular Weight
203.140000
Exact Mass
203.039399
SMILES
COC(=O)C1=NC=C(C=C1)OC(F)F
InChI
InChI=1S/C8H7F2NO3/c1-13-7(12)6-3-2-5(4-11-6)14-8(9)10/h2-4,8H,1H3
InChIKey
GYLVRIHLZDZLRZ-UHFFFAOYSA-N
Synonyms
methyl 5-(difluoromethoxy)picolinate
methyl 5-(difluoromethoxy)pyridine-2-carboxylate
MFCD22550529
starbld0009774
SCHEMBL2108310
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.21
TPSA
48.42
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
2
Consensus LogP
1.59
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.92
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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