[email protected]
CAS 1018680-09-5 5-(dimethylamino)pyridin-3-ylboronic acid molecular structure lightbox
CAS RN: 1018680-09-5

5-(dimethylamino)pyridin-3-ylboronic acid

  • Product code: SSC-002926
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1018680-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1018680-09-5 / [5-(dimethylamino)-3-pyridinyl]boronic acid

(5-(Dimethylamino)pyridin-3-yl)boronic acid | 5-(dimethylamino)pyridin-3-ylboronic acid | [5-(Dimethylamino)pyridin-3-yl]boronic acid

Standard CAS: 1018680-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1018680-09-5
Multi CAS
Yes
Molecular Formula
C7H11BN2O2
Molecular Weight
165.990000
Exact Mass
166.091358
SMILES
B(C1=CC(=CN=C1)N(C)C)(O)O
InChI
InChI=1S/C7H11BN2O2/c1-10(2)7-3-6(8(11)12)4-9-5-7/h3-5,11-12H,1-2H3
InChIKey
XONOLKVBZTVRBK-UHFFFAOYSA-N
Synonyms
(5-(Dimethylamino)pyridin-3-yl)boronic acid 5-(dimethylamino)pyridin-3-ylboronic acid [5-(Dimethylamino)pyridin-3-yl]boronic acid MFCD12964565 3-Dimethylaminopyridine-5-boronic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.39
TPSA
56.59

LogP / Solubility

WLOGP
-1.17
MLOGP
-1.04
XLogP3
-1.17
Consensus LogP
-1.13
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very 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)
-4.57

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

Customers Also Viewed

Get In Touch

Contact Us