CAS RN: 1256809-45-6
2-Amino-3-fluoroisnicotinic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS1256809-45-6
- Purity/Analytical Methods: >99.0%
1256809-45-6 / 2-amino-3-fluoropyridine-4-carboxylic acid
Basic Information
CAS
1256809-45-6
Multi CAS
No
Molecular Formula
C6H5FN2O2
Molecular Weight
156.110000
Exact Mass
156.033506
SMILES
C1=CN=C(C(=C1C(=O)O)F)N
InChI
InChI=1S/C6H5FN2O2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)
InChIKey
XDBMKSULKQLTEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.57
TPSA
76.21
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.1
Consensus LogP
0.35
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-BroMo-2-chloro-6-Methyl-nicotinic acid
- CAS RN: 1256809-64-9
- Product Code: starshine_CAS1256809-64-9
- Purity/Analytical method: >99.0%
-
4-chlorofuro[3,2-c]pyridine-7-carboxylicacid
- CAS RN: 1256809-80-9
- Product Code: SSC-030743
-
Methyl 3-hydroxy-5-(trifluoromethyl)picolinate
- CAS RN: 1256810-01-1
- Product Code: SSC-030744
-
-
-
![CAS 1256809-80-9 4-chlorofuro[3,2-c]pyridine-7-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256809-80-9.gif)
