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CAS 69377-81-7 Fluroxypyr molecular structure lightbox
CAS RN: 69377-81-7

Fluroxypyr

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2 package records1 with current stock1 grade group
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Batchno.20250602 100mg Out of stock Inquiry
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  • Product code: starshine_CAS69377-81-7
  • Purity/Analytical Methods: >99.0%
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69377-81-7 / 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid

Standard CAS: 69377-81-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
69377-81-7
Multi CAS
Yes
Molecular Formula
C7H5CL2FN2O3
Molecular Weight
255.030000
Exact Mass
253.966126
InChI
InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
InChIKey
MEFQWPUMEMWTJP-UHFFFAOYSA-N

Physical Properties

Melting Point
232 °C Stable in acidic media. Fluroxypyr is acidic, and reacts with alkalis to form salts. DT50 /half-life/ in water 185 days (pH 9, 20 °C). Stable at temperatures up to melting point. Stable in visible light.
Density
1.09 at 24 °C
Physical Description
White solid; [Merck Index]
Appearance
White crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.76
TPSA
85.44

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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