[email protected]
CAS 1070774-29-6 3-Fluoropyridine-2-boronic acid molecular structure lightbox
CAS RN: 1070774-29-6

3-Fluoropyridine-2-boronic acid

  • Product code: SSC-008518
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: 0.1g, 0.25g, 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 1070774-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1070774-29-6 / (3-fluoro-2-pyridinyl)boronic acid

(3-Fluoropyridin-2-yl)boronic acid | DTXSID50694812 | RefChem:400259

Standard CAS: 1070774-29-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1070774-29-6
Multi CAS
No
Molecular Formula
C5H5BFNO2
Molecular Weight
140.910000
Exact Mass
141.039737
SMILES
B(C1=C(C=CC=N1)F)(O)O
InChI
InChI=1S/C5H5BFNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3,9-10H
InChIKey
LTAUVGYDXJTVQB-UHFFFAOYSA-N
Synonyms
(3-Fluoropyridin-2-yl)boronic acid DTXSID50694812 RefChem:400259 DTXCID50645561 858-969-8

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.02
TPSA
53.35

LogP / Solubility

WLOGP
-1.1
MLOGP
-0.97
XLogP3
-1.1
Consensus LogP
-1.06
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
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)
-4.36

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us