CAS RN: 1211578-10-7
3-Fluoro-5-Methylisonicotinic acid
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.20250708 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1211578-10-7
- Purity/Analytical Methods: >99.0%
1211578-10-7 / 3-fluoro-5-methylpyridine-4-carboxylic acid
3-FLUORO-5-METHYLPYRIDINE-4-CARBOXYLIC ACID | DTXSID80743741 | RefChem:279489
Basic Information
CAS
1211578-10-7
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
CC1=CN=CC(=C1C(=O)O)F
InChI
InChI=1S/C7H6FNO2/c1-4-2-9-3-5(8)6(4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
MTFOBDOIKWBSQO-UHFFFAOYSA-N
Synonyms
3-FLUORO-5-METHYLPYRIDINE-4-CARBOXYLIC ACID
DTXSID80743741
RefChem:279489
DTXCID20694485
3-Fluoro-5-methylisonicotinic acid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.89
TPSA
50.19
LogP / Solubility
WLOGP
1.23
MLOGP
1.07
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.79
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
![CAS 1211578-31-2 6-Bromo-3-methylpyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211578-31-2.gif)
