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CAS 1029654-19-0 2-FLUORO-6-PHENYL-3-PYRIDINEBORONIC ACID molecular structure lightbox
CAS RN: 1029654-19-0

2-FLUORO-6-PHENYL-3-PYRIDINEBORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1029654-19-0
  • Purity/Analytical Methods: >99.0%
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1029654-19-0 / (2-fluoro-6-phenyl-3-pyridinyl)boronic acid

2-Fluoro-6-phenylpyridine-3-boronic acid | (2-fluoro-6-phenylpyridin-3-yl)boronic acid | MFCD07437944

Standard CAS: 1029654-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029654-19-0
Multi CAS
No
Molecular Formula
C11H9BFNO2
Molecular Weight
217.010000
Exact Mass
217.071037
SMILES
B(C1=C(N=C(C=C1)C2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C11H9BFNO2/c13-11-9(12(15)16)6-7-10(14-11)8-4-2-1-3-5-8/h1-7,15-16H
InChIKey
HTCDYRMNZQWTIJ-UHFFFAOYSA-N
Synonyms
2-Fluoro-6-phenylpyridine-3-boronic acid (2-fluoro-6-phenylpyridin-3-yl)boronic acid MFCD07437944 2-fluoro-6-phenyl-3-pyridineboronic acid (2-fluoro-6-phenyl-3-pyridyl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.46
TPSA
53.35

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.57
Consensus LogP
0.55
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.64

Drug-likeness / Medicinal Chemistry

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

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