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CAS 86696-69-7 6-(2-Methoxyphenyl)-picolinic acid molecular structure lightbox
CAS RN: 86696-69-7

6-(2-Methoxyphenyl)-picolinic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS86696-69-7
  • Purity/Analytical Methods: >99.0%
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86696-69-7 / 6-(2-methoxyphenyl)pyridine-2-carboxylic acid

Standard CAS: 86696-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86696-69-7
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
InChI
InChI=1S/C13H11NO3/c1-17-12-8-3-2-5-9(12)10-6-4-7-11(14-10)13(15)16/h2-8H,1H3,(H,15,16)
InChIKey
YKISLHFFDIVAAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.18
TPSA
59.42

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

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