CAS RN: 2007915-85-5
6-(Difluoromethyl)pyridin-3-ol hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2007915-85-5
- Purity/Analytical Methods: >99.0%
2007915-85-5 / 6-(difluoromethyl)pyridin-3-ol;hydrochloride
Basic Information
CAS
2007915-85-5
Multi CAS
No
Molecular Formula
C6H6ClF2NO
Molecular Weight
181.570000
Exact Mass
181.010598
SMILES
C1=CC(=NC=C1O)C(F)F.Cl
InChI
InChI=1S/C6H5F2NO.ClH/c7-6(8)5-2-1-4(10)3-9-5;/h1-3,6,10H;1H
InChIKey
BUQFSGBZGKBNIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.11
TPSA
33.12
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.15
Consensus LogP
2.06
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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