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CAS 1260671-28-0 2-Amino-5-fluoroisonicotinic acid molecular structure lightbox
CAS RN: 1260671-28-0

2-Amino-5-fluoroisonicotinic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1260671-28-0
  • Purity/Analytical Methods: >99.0%
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1260671-28-0 / 2-amino-5-fluoropyridine-4-carboxylic acid

Standard CAS: 1260671-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260671-28-0
Multi CAS
No
Molecular Formula
C6H5FN2O2
Molecular Weight
156.110000
Exact Mass
156.033506
SMILES
C1=C(C(=CN=C1N)F)C(=O)O
InChI
InChI=1S/C6H5FN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKey
SWXMQSZBMMOIBW-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

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