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CAS 1070893-11-6 b-(4,6-dichloro-3-pyridinyl)boronicacid molecular structure lightbox
CAS RN: 1070893-11-6

b-(4,6-dichloro-3-pyridinyl)boronicacid

  • Product code: SSC-008536
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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 1070893-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1070893-11-6 / (4,6-dichloro-3-pyridinyl)boronic acid

(4,6-dichloropyridin-3-yl)boronic acid | (4,6-Dichloropyridine-3yl)boronic acid | 2,4-Dichloropyridine-5-boronic acid

Standard CAS: 1070893-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1070893-11-6
Multi CAS
No
Molecular Formula
C5H4BCl2NO2
Molecular Weight
191.810000
Exact Mass
190.971214
SMILES
B(C1=CN=C(C=C1Cl)Cl)(O)O
InChI
InChI=1S/C5H4BCl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2,10-11H
InChIKey
MUXIQUFADVGXLV-UHFFFAOYSA-N
Synonyms
(4,6-dichloropyridin-3-yl)boronic acid (4,6-Dichloropyridine-3yl)boronic acid 2,4-Dichloropyridine-5-boronic acid 4,6-Dichloropyridine-3-boronic acid MFCD07374977

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.08
TPSA
53.35

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.84

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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