CAS RN: 1214388-36-9
4-(4-Fluorophenyl)pyridine-2-carboxylic 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.20250912 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214388-36-9
- Purity/Analytical Methods: >99.0%
1214388-36-9 / 4-(4-fluorophenyl)pyridine-2-carboxylic acid
Basic Information
CAS
1214388-36-9
Multi CAS
No
Molecular Formula
C12H8FNO2
Molecular Weight
217.200000
Exact Mass
217.053907
SMILES
C1=CC(=CC=C1C2=CC(=NC=C2)C(=O)O)F
InChI
InChI=1S/C12H8FNO2/c13-10-3-1-8(2-4-10)9-5-6-14-11(7-9)12(15)16/h1-7H,(H,15,16)
InChIKey
OIGZQCHOUATCFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.59
TPSA
50.19
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.4
Consensus LogP
2.42
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
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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