CAS RN: 1256819-16-5
5-Chloro-2-Methylnicotinonitrile
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.20251122 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256819-16-5
- Purity/Analytical Methods: >99.0%
1256819-16-5 / 5-chloro-2-methylpyridine-3-carbonitrile
Basic Information
CAS
1256819-16-5
Multi CAS
No
Molecular Formula
C7H5ClN2
Molecular Weight
152.580000
Exact Mass
152.014126
SMILES
CC1=C(C=C(C=N1)Cl)C#N
InChI
InChI=1S/C7H5ClN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,1H3
InChIKey
VBUXHVXTMHAYNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
38.7
TPSA
36.68
LogP / Solubility
WLOGP
1.92
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-(3-Fluoropyridin-4-yl)propanoic acid
- CAS RN: 1256819-25-6
- Product Code: starshine_CAS1256819-25-6
- Purity/Analytical method: >99.0%
-
-
-
2-Fluoro-3-Methoxypyridine-5-carboxylic acid
- CAS RN: 1256819-38-1
- Product Code: SSC-030797
-
5-Bromo-3-Isopropyl-1H-Pyrrolo[2,3-B]Pyridine
- CAS RN: 1256819-54-1
- Product Code: SSC-030798
-
4-Pyridinecarboxylic acid, 2-bromo-5-methoxy-, methyl ester
- CAS RN: 1256819-65-4
- Product Code: starshine_CAS1256819-65-4
- Purity/Analytical method: >99.0%
![CAS 1256819-54-1 5-Bromo-3-Isopropyl-1H-Pyrrolo[2,3-B]Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256819-54-1.gif)
