CAS RN: 7477-10-3
2-Chloro-3-nitro-5-pyridinecarboxylic acid
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.20260201 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7477-10-3
- Purity/Analytical Methods: >99.0%
7477-10-3 / 6-chloro-5-nitropyridine-3-carboxylic acid
Basic Information
CAS
7477-10-3
Multi CAS
Yes
Molecular Formula
C6H3CLN2O4
Molecular Weight
202.550000
Exact Mass
201.978134
InChI
InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
InChIKey
HCRHNMXCDNACMH-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
42.86
TPSA
93.33
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.2
Consensus LogP
1.24
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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
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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