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CAS RN: 1350475-33-0
6-Methoxy-3-nitro-pyridine-2-carboxylic 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.20251019 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1350475-33-0
- Purity/Analytical Methods: >99.0%
1350475-33-0 / 6-methoxy-3-nitropyridine-2-carboxylic acid
Basic Information
CAS
1350475-33-0
Multi CAS
No
Molecular Formula
C7H6N2O5
Molecular Weight
198.130000
Exact Mass
198.027671
SMILES
COC1=NC(=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H6N2O5/c1-14-5-3-2-4(9(12)13)6(8-5)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
BFVIGMSYIVCORE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.4
TPSA
102.56
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1350475-48-7 Racemic-(3aS,8R,8aS)-tert-butyl 8-hydroxy-3,3a,8,8a-tetrahydroindeno[1,2-c]pyrrole-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1350475-48-7.gif)
