CAS RN: 1171918-06-1
3,5-Difluoro-2-methoxypyridine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS1171918-06-1
- Purity/Analytical Methods: >99.0%
1171918-06-1 / 3,5-difluoro-2-methoxypyridine
3,5-Difluoro-2-methoxypyridine | DTXSID50673965 | RefChem:271751
Basic Information
CAS
1171918-06-1
Multi CAS
No
Molecular Formula
C6H5F2NO
Molecular Weight
145.110000
Exact Mass
145.033920
SMILES
COC1=C(C=C(C=N1)F)F
InChI
InChI=1S/C6H5F2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
MEYHCABYUQUSKK-UHFFFAOYSA-N
Synonyms
3,5-Difluoro-2-methoxypyridine
DTXSID50673965
RefChem:271751
DTXCID90624714
640-486-7
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.7
TPSA
22.12
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
Methyl 5-chloro-6-fluoronicotinate
- CAS RN: 1171918-85-6
- Product Code: starshine_CAS1171918-85-6
- Purity/Analytical method: >99.0%
-
-
-
1H-Pyrrolo[3,2-c]pyridine, 6-chloro-7-iodo-
- CAS RN: 1171919-03-1
- Product Code: SSC-017043
-
-
![CAS 1171919-03-1 1H-Pyrrolo[3,2-c]pyridine, 6-chloro-7-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1171919-03-1.gif)
