CAS RN: 202118-70-5
3-Pyridinecarboxylicacid,1,2-dihydro-1-hydroxy-2-oxo-(9CI)
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.20260111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS202118-70-5
- Purity/Analytical Methods: >99.0%
202118-70-5 / 1-hydroxy-2-oxopyridine-3-carboxylic acid
Basic Information
CAS
202118-70-5
Multi CAS
No
Molecular Formula
C6H5NO4
Molecular Weight
155.110000
Exact Mass
155.021858
SMILES
C1=CN(C(=O)C(=C1)C(=O)O)O
InChI
InChI=1S/C6H5NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,11H,(H,9,10)
InChIKey
VQLWLSUQDIXNBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.85
TPSA
79.53
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
0.2
Consensus LogP
-0.07
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.82
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 20213-26-7 6-METHOXY-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[H]CHROMENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20213-26-7.gif)
