CAS RN: 856834-36-1
5-CHLORO-3-NITROPYRIDINE-2-CARBOXAMIDE
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.20250821 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS856834-36-1
- Purity/Analytical Methods: >99.0%
856834-36-1 / 5-chloro-3-nitropyridine-2-carboxamide
Basic Information
CAS
856834-36-1
Multi CAS
No
Molecular Formula
C6H4CLN3O3
Molecular Weight
201.570000
Exact Mass
200.994119
InChI
InChI=1S/C6H4ClN3O3/c7-3-1-4(10(12)13)5(6(8)11)9-2-3/h1-2H,(H2,8,11)
InChIKey
STMVOCILKBZVFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.42
TPSA
99.12
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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