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CAS 1189757-55-8 5-Fluoro-6-hydroxypicolinic acid molecular structure lightbox
CAS RN: 1189757-55-8

5-Fluoro-6-hydroxypicolinic acid

  • Product code: SSC-019194
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1189757-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1189757-55-8 / 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid

5-Fluoro-6-hydroxypicolinic acid | 5-Fluoro-6-oxo-1,6-dihydropyridine-2-carboxylic acid | 5-FLUORO-6-OXO-1H-PYRIDINE-2-CARBOXYLIC ACID

Standard CAS: 1189757-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189757-55-8
Multi CAS
No
Molecular Formula
C6H4FNO3
Molecular Weight
157.100000
Exact Mass
157.017521
SMILES
C1=C(C(=O)NC(=C1)C(=O)O)F
InChI
InChI=1S/C6H4FNO3/c7-3-1-2-4(6(10)11)8-5(3)9/h1-2H,(H,8,9)(H,10,11)
InChIKey
KHTTWFGNUPHEEZ-UHFFFAOYSA-N
Synonyms
5-Fluoro-6-hydroxypicolinic acid 5-Fluoro-6-oxo-1,6-dihydropyridine-2-carboxylic acid 5-FLUORO-6-OXO-1H-PYRIDINE-2-CARBOXYLIC ACID MFCD13185580 MFCD20691601

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.98
TPSA
70.16

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
0.3
Consensus LogP
0.23
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-3.53

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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