CAS RN: 1086110-81-7
5-Chloro-N-methylpyridine-2-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1086110-81-7
- Purity/Analytical Methods: >99.0%
1086110-81-7 / 5-chloro-N-methylpyridine-2-carboxamide
5-chloro-N-methylpyridine-2-carboxamide | 5-Chloro-N-methylpicolinamide | MFCD20321086
Basic Information
CAS
1086110-81-7
Multi CAS
Yes
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
CNC(=O)C1=NC=C(C=C1)Cl
InChI
InChI=1S/C7H7ClN2O/c1-9-7(11)6-3-2-5(8)4-10-6/h2-4H,1H3,(H,9,11)
InChIKey
HJMYEEJSNNQECC-UHFFFAOYSA-N
Synonyms
5-chloro-N-methylpyridine-2-carboxamide
5-Chloro-N-methylpicolinamide
MFCD20321086
Regorafenib Impurity 99
SCHEMBL1507062
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
42.64
TPSA
41.99
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.98
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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