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CAS 265664-53-7 6-(methylamino)pyridin-3-ylboronic acid hydrochloride molecular structure lightbox
CAS RN: 265664-53-7

6-(methylamino)pyridin-3-ylboronic acid hydrochloride

  • Product code: SSC-124588
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 265664-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g -- 1 In Stock Hong Kong Inquiry
0.05g >95% 1 In Stock Beijing Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry

265664-53-7 / [6-(methylamino)-3-pyridinyl]boronic acid;hydrochloride

Standard CAS: 265664-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265664-53-7
Multi CAS
No
Molecular Formula
C6H10BClN2O2
Molecular Weight
188.420000
Exact Mass
188.052385
SMILES
B(C1=CN=C(C=C1)NC)(O)O.Cl
InChI
InChI=1S/C6H9BN2O2.ClH/c1-8-6-3-2-5(4-9-6)7(10)11;/h2-4,10-11H,1H3,(H,8,9);1H
InChIKey
CAUFSLATQZVWPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.86
TPSA
65.38

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.68
XLogP3
-0.78
Consensus LogP
-0.75
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-4.42

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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