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CAS 1141886-37-4 3-Chloro-2-hydroxypyridine-5-boronic acid molecular structure lightbox
CAS RN: 1141886-37-4

3-Chloro-2-hydroxypyridine-5-boronic acid

  • Product code: SSC-014054
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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
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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 1141886-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1141886-37-4 / (5-chloro-6-oxo-1H-pyridin-3-yl)boronic acid

(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)boronic acid | 3-Chloro-2-hydroxypyridine-5-boronic acid | 5-CHLORO-6-HYDROXYPYRIDIN-3-YLBORONIC ACID

Standard CAS: 1141886-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1141886-37-4
Multi CAS
Yes
Molecular Formula
C5H5BClNO3
Molecular Weight
173.360000
Exact Mass
173.005101
SMILES
B(C1=CNC(=O)C(=C1)Cl)(O)O
InChI
InChI=1S/C5H5BClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9)
InChIKey
LOJWDAMORQDVBQ-UHFFFAOYSA-N
Synonyms
(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)boronic acid 3-Chloro-2-hydroxypyridine-5-boronic acid 5-CHLORO-6-HYDROXYPYRIDIN-3-YLBORONIC ACID (5-chloro-6-oxo-1,6-dihydropyridin-3-yl)boronicacid (5-chloro-6-oxo-1H-pyridin-3-yl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.9
TPSA
73.32

LogP / Solubility

WLOGP
-1.29
MLOGP
-1.14
XLogP3
-1.29
Consensus LogP
-1.24
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.17
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)
-4.69

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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