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CAS 148541-70-2 ETHYL 5-FLUOROPYRIDINE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 148541-70-2

ETHYL 5-FLUOROPYRIDINE-2-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS148541-70-2
  • Purity/Analytical Methods: >99.0%
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148541-70-2 / ethyl 5-fluoropyridine-2-carboxylate

Standard CAS: 148541-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148541-70-2
Multi CAS
No
Molecular Formula
C8H8FNO2
Molecular Weight
169.150000
Exact Mass
169.053907
SMILES
CCOC(=O)C1=NC=C(C=C1)F
InChI
InChI=1S/C8H8FNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKey
AHMGOYHQXHQSQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.15
TPSA
39.19

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-2.76

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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