![CAS 1187383-94-3 [3,3′-Bipyridine]-6-carboxylic acid, 6′-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187383-94-3.gif)
CAS RN: 1187383-94-3
[3,3′-Bipyridine]-6-carboxylic acid, 6′-fluoro-
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.20260627 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187383-94-3
- Purity/Analytical Methods: >99.0%
1187383-94-3 / 5-(6-fluoro-3-pyridinyl)pyridine-2-carboxylic acid
6'-Fluoro-[3,3'-bipyridine]-6-carboxylic acid | MFCD24500172 | 6'-Fluoro-[3,3'-bipyridine]-6-carboxylicacid
Basic Information
CAS
1187383-94-3
Multi CAS
No
Molecular Formula
C11H7FN2O2
Molecular Weight
218.180000
Exact Mass
218.049156
SMILES
C1=CC(=NC=C1C2=CN=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H7FN2O2/c12-10-4-2-8(6-14-10)7-1-3-9(11(15)16)13-5-7/h1-6H,(H,15,16)
InChIKey
KFFLTIJQAVMSLV-UHFFFAOYSA-N
Synonyms
6'-Fluoro-[3,3'-bipyridine]-6-carboxylic acid
MFCD24500172
6'-Fluoro-[3,3'-bipyridine]-6-carboxylicacid
F75286
5-(6-fluoro-3-pyridyl)pyridine-2-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.39
TPSA
63.08
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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