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CAS 1003711-65-6 5-CHLORO-2-FLUORO-3-HYDROXYPYRIDINE molecular structure lightbox
CAS RN: 1003711-65-6

5-CHLORO-2-FLUORO-3-HYDROXYPYRIDINE

  • Product code: SSC-000914
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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: ＞97%
  • 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 1003711-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1003711-65-6 / 5-chloro-2-fluoropyridin-3-ol

5-Chloro-2-fluoropyridin-3-ol | 5-CHLORO-2-FLUORO-3-HYDROXYPYRIDINE | MFCD09835255

Standard CAS: 1003711-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003711-65-6
Multi CAS
No
Molecular Formula
C5H3ClFNO
Molecular Weight
147.530000
Exact Mass
146.988720
SMILES
C1=C(C=NC(=C1O)F)Cl
InChI
InChI=1S/C5H3ClFNO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
InChIKey
OHFSMJDOYAPSOY-UHFFFAOYSA-N
Synonyms
5-Chloro-2-fluoropyridin-3-ol 5-CHLORO-2-FLUORO-3-HYDROXYPYRIDINE MFCD09835255 3-Pyridinol, 5-chloro-2-fluoro- 5-Chloro-2-fluoro-pyridin-3-ol

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.87
TPSA
33.12

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-2.5

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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