CAS RN: 1163297-82-2
5-Chloro-2-hydroxy-6-methyl-nicotinonitrile
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.20260430 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1163297-82-2
- Purity/Analytical Methods: >99.0%
1163297-82-2 / 5-chloro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
5-Chloro-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile | RefChem:302163 | 5-Chloro-2-hydroxy-6-methyl-nicotinonitrile
Basic Information
CAS
1163297-82-2
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
CC1=C(C=C(C(=O)N1)C#N)Cl
InChI
InChI=1S/C7H5ClN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,1H3,(H,10,11)
InChIKey
IEEIIJDVMMNPDI-UHFFFAOYSA-N
Synonyms
5-Chloro-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
RefChem:302163
5-Chloro-2-hydroxy-6-methyl-nicotinonitrile
5-Chloro-2-hydroxy-6-methylnicotinonitrile
5-chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.52
TPSA
56.65
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.89
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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