CAS RN: 65169-45-1
2-Chloro-5-Methyl-nicotinaMide
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.20250304 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65169-45-1
- Purity/Analytical Methods: >99.0%
65169-45-1 / 2-chloro-5-methylpyridine-3-carboxamide
Basic Information
CAS
65169-45-1
Multi CAS
No
Molecular Formula
C7H7CLN2O
Molecular Weight
170.590000
Exact Mass
170.024691
InChI
InChI=1S/C7H7ClN2O/c1-4-2-5(7(9)11)6(8)10-3-4/h2-3H,1H3,(H2,9,11)
InChIKey
CRYQNMBNIVTUBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.5
TPSA
55.98
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.95
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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