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CAS 1310404-78-4 2-fluoro-6-Methylpyridin-4-ylboronic acid molecular structure lightbox
CAS RN: 1310404-78-4

2-fluoro-6-Methylpyridin-4-ylboronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1310404-78-4
  • Purity/Analytical Methods: >99.0%
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1310404-78-4 / (2-fluoro-6-methyl-4-pyridinyl)boronic acid

Standard CAS: 1310404-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310404-78-4
Multi CAS
No
Molecular Formula
C6H7BFNO2
Molecular Weight
154.940000
Exact Mass
155.055387
SMILES
B(C1=CC(=NC(=C1)F)C)(O)O
InChI
InChI=1S/C6H7BFNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3,10-11H,1H3
InChIKey
RLBRCDSBHIADKU-UHFFFAOYSA-N

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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