CAS RN: 1060806-01-0
4-fluoro-6-Methylnicotinic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250430 | 25mg / 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1060806-01-0
- Purity/Analytical Methods: >99.0%
1060806-01-0 / 4-fluoro-6-methylpyridine-3-carboxylic acid
4-Fluoro-6-methylnicotinic acid | 4-FLUORO-6-METHYLPYRIDINE-3-CARBOXYLIC ACID | 4-Fluoro-6-methylnicotinicacid
Basic Information
CAS
1060806-01-0
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
CC1=CC(=C(C=N1)C(=O)O)F
InChI
InChI=1S/C7H6FNO2/c1-4-2-6(8)5(3-9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
XCZZMOINOMKPOU-UHFFFAOYSA-N
Synonyms
4-Fluoro-6-methylnicotinic acid
4-FLUORO-6-METHYLPYRIDINE-3-CARBOXYLIC ACID
4-Fluoro-6-methylnicotinicacid
MFCD13188662
SCHEMBL20031393
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
0.9
Consensus LogP
1.07
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
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