Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 25g, 100g, 5g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1513-65-1 / 2,6-difluoropyridine
Basic Information
CAS
1513-65-1
Multi CAS
No
Molecular Formula
C5H3F2N
Molecular Weight
115.080000
Exact Mass
115.023355
SMILES
C1=CC(=NC(=C1)F)F
InChI
InChI=1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey
MBTGBRYMJKYYOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
24.15
TPSA
12.89
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-2.46
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
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
