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
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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1174028-23-9 / (5-bromo-6-methyl-3-pyridinyl)methanol
(5-bromo-6-methylpyridin-3-yl)methanol | SCHEMBL335179 | KNZHIXOSCFEQEX-UHFFFAOYSA-N
Basic Information
CAS
1174028-23-9
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
CC1=C(C=C(C=N1)CO)Br
InChI
InChI=1S/C7H8BrNO/c1-5-7(8)2-6(4-10)3-9-5/h2-3,10H,4H2,1H3
InChIKey
KNZHIXOSCFEQEX-UHFFFAOYSA-N
Synonyms
(5-bromo-6-methylpyridin-3-yl)methanol
SCHEMBL335179
KNZHIXOSCFEQEX-UHFFFAOYSA-N
DTXSID801293838
5-Bromo-6-methyl-3-pyridinemethanol
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.6
TPSA
33.12
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.1
Consensus LogP
1.4
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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