CAS RN: 1256835-19-4
5-CHLORO-6-METHYLNICOTINIC ACID
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.20251102 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256835-19-4
- Purity/Analytical Methods: >99.0%
1256835-19-4 / 5-chloro-6-methylpyridine-3-carboxylic acid
Basic Information
CAS
1256835-19-4
Multi CAS
No
Molecular Formula
C7H6ClNO2
Molecular Weight
171.580000
Exact Mass
171.008706
SMILES
CC1=C(C=C(C=N1)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO2/c1-4-6(8)2-5(3-9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
AIDXHOVOUCHIPI-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
40.94
TPSA
50.19
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.53
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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- Purity/Analytical method: >99.0%
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![CAS 1256835-57-0 4-CHLORO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1816488.gif)
