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CAS 1427083-36-0 5-Cyano-6-hydroxynicotinic Acid molecular structure lightbox
CAS RN: 1427083-36-0

5-Cyano-6-hydroxynicotinic Acid

  • Product code: SSC-053538
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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: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1427083-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

1427083-36-0 / 5-cyano-6-oxo-1H-pyridine-3-carboxylic acid

Standard CAS: 1427083-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427083-36-0
Multi CAS
No
Molecular Formula
C7H4N2O3
Molecular Weight
164.120000
Exact Mass
164.022192
SMILES
C1=C(C(=O)NC=C1C(=O)O)C#N
InChI
InChI=1S/C7H4N2O3/c8-2-4-1-5(7(11)12)3-9-6(4)10/h1,3H,(H,9,10)(H,11,12)
InChIKey
BNNQTMPZASYUQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.74
TPSA
93.95

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.6
Consensus LogP
-0.24
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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