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: 1g, 5g, 0.25g, 10g, 25g, 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
101990-69-6 / (2,6-dichloro-4-pyridinyl)methanol
(2,6-dichloropyridin-4-yl)methanol | 2,6-dichloro-4-pyridinemethanol | RefChem:394681
Basic Information
CAS
101990-69-6
Multi CAS
Yes
Molecular Formula
C6H5Cl2NO
Molecular Weight
178.010000
Exact Mass
176.974819
SMILES
C1=C(C=C(N=C1Cl)Cl)CO
InChI
InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2
InChIKey
YDGJTFCKLFLWFM-UHFFFAOYSA-N
Synonyms
(2,6-dichloropyridin-4-yl)methanol
2,6-dichloro-4-pyridinemethanol
RefChem:394681
641-206-6
2,6-Dichloropyridine-4-methanol
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.18
TPSA
33.12
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.47
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)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H312 (42.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
