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CAS 1208101-45-4 5-FLUORO-6-METHYLPYRIDIN-2-YL-2-BORONIC ACID molecular structure lightbox
CAS RN: 1208101-45-4

5-FLUORO-6-METHYLPYRIDIN-2-YL-2-BORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1208101-45-4
  • Purity/Analytical Methods: >99.0%
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1208101-45-4 / (5-fluoro-6-methyl-2-pyridinyl)boronic acid

(5-Fluoro-6-methylpyridin-2-yl)boronic acid | 5-Fluoro-6-methylpyridine-2-boronic acid | MFCD08061580

Standard CAS: 1208101-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208101-45-4
Multi CAS
No
Molecular Formula
C6H7BFNO2
Molecular Weight
154.940000
Exact Mass
155.055387
SMILES
B(C1=NC(=C(C=C1)F)C)(O)O
InChI
InChI=1S/C6H7BFNO2/c1-4-5(8)2-3-6(9-4)7(10)11/h2-3,10-11H,1H3
InChIKey
WDAILCPJIWDYCA-UHFFFAOYSA-N
Synonyms
(5-Fluoro-6-methylpyridin-2-yl)boronic acid 5-Fluoro-6-methylpyridine-2-boronic acid MFCD08061580 5-FLUORO-6-METHYLPYRIDIN-2-YL-2-BORONIC ACID (5-fluoro-6-methyl-2-pyridyl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.76
TPSA
53.35

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.7
XLogP3
-0.79
Consensus LogP
-0.76
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.23

Drug-likeness / Medicinal Chemistry

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

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