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CAS 1260665-42-6 Methyl 4-amino-5-fluoropicolinate molecular structure lightbox
CAS RN: 1260665-42-6

Methyl 4-amino-5-fluoropicolinate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1260665-42-6
  • Purity/Analytical Methods: >99.0%
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1260665-42-6 / methyl 4-amino-5-fluoropyridine-2-carboxylate

Standard CAS: 1260665-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260665-42-6
Multi CAS
No
Molecular Formula
C7H7FN2O2
Molecular Weight
170.140000
Exact Mass
170.049156
SMILES
COC(=O)C1=NC=C(C(=C1)N)F
InChI
InChI=1S/C7H7FN2O2/c1-12-7(11)6-2-5(9)4(8)3-10-6/h2-3H,1H3,(H2,9,10)
InChIKey
DGVFLFDGJISPFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.95
TPSA
65.21

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
0.5
Consensus LogP
0.54
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.34

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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