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CAS 1443112-27-3 2-Methyl-6-cyanopyridine-4-boronic acid molecular structure lightbox
CAS RN: 1443112-27-3

2-Methyl-6-cyanopyridine-4-boronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1443112-27-3
  • Purity/Analytical Methods: >99.0%
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1443112-27-3 / (2-cyano-6-methyl-4-pyridinyl)boronic acid

Standard CAS: 1443112-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443112-27-3
Multi CAS
No
Molecular Formula
C7H7BN2O2
Molecular Weight
161.960000
Exact Mass
162.060058
SMILES
B(C1=CC(=NC(=C1)C#N)C)(O)O
InChI
InChI=1S/C7H7BN2O2/c1-5-2-6(8(11)12)3-7(4-9)10-5/h2-3,11-12H,1H3
InChIKey
RBACPNONJJGPIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.51
TPSA
77.14

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.94
XLogP3
-1.06
Consensus LogP
-1.02
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.46

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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