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 | Shanghai | Inquiry |
1073332-71-4 / 3-(dichloromethyl)-5-methylpyridine
3-(dichloromethyl)-5-methylpyridine | SCHEMBL9251314 | 3-dichloromethyl-5-methylpyridine
Basic Information
CAS
1073332-71-4
Multi CAS
No
Molecular Formula
C7H7Cl2N
Molecular Weight
176.040000
Exact Mass
174.995555
SMILES
CC1=CC(=CN=C1)C(Cl)Cl
InChI
InChI=1S/C7H7Cl2N/c1-5-2-6(7(8)9)4-10-3-5/h2-4,7H,1H3
InChIKey
RDWCURGDYFWRBC-UHFFFAOYSA-N
Synonyms
3-(dichloromethyl)-5-methylpyridine
SCHEMBL9251314
3-dichloromethyl-5-methylpyridine
MFCD19690188
SY331355
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.42
TPSA
12.89
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
2.3
Consensus LogP
2.56
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-1.76
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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![CAS 1073338-93-8 TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073338-93-8.gif)
![CAS 1073338-94-9 tert-butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073338-94-9.gif)
