CAS RN: 1032759-01-5
(3-Methyl-2-aminopyridin-5-yl)boronic acid
- Product code: SSC-004726
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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1032759-01-5 / (6-amino-5-methyl-3-pyridinyl)boronic acid
(6-Amino-5-methylpyridin-3-yl)boronic acid | 6-Amino-5-methylpyridine-3-boronic acid | 6-amino-5-methylpyridin-3-ylboronic acid
Basic Information
CAS
1032759-01-5
Multi CAS
No
Molecular Formula
C6H9BN2O2
Molecular Weight
151.960000
Exact Mass
152.075708
SMILES
B(C1=CC(=C(N=C1)N)C)(O)O
InChI
InChI=1S/C6H9BN2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3,(H2,8,9)
InChIKey
LVIPAYBVNBMLBM-UHFFFAOYSA-N
Synonyms
(6-Amino-5-methylpyridin-3-yl)boronic acid
6-Amino-5-methylpyridine-3-boronic acid
6-amino-5-methylpyridin-3-ylboronic acid
(3-Methyl-2-aminopyridin-5-yl)boronic acid
MFCD11865288
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.21
TPSA
79.37
LogP / Solubility
WLOGP
-1.35
MLOGP
-1.19
XLogP3
-1.35
Consensus LogP
-1.3
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
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)
-4.6
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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