CAS RN: 5006-66-6
6-Hydroxynicotinic Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-156390
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 5g, 100g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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5006-66-6 / 6-oxo-1H-pyridine-3-carboxylic acid
Basic Information
CAS
5006-66-6
Multi CAS
Yes
Molecular Formula
C6H5NO3
Molecular Weight
139.110000
Exact Mass
139.026943
InChI
InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKey
BLHCMGRVFXRYRN-UHFFFAOYSA-N
Physical Properties
Melting Point
310 °C
Physical Description
Off-white powder;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.02
TPSA
70.16
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
-0.5
Consensus LogP
-0.12
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
