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CAS 1020253-21-7 6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine molecular structure lightbox
CAS RN: 1020253-21-7

6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine

  • Product code: SSC-003265
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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 1020253-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1020253-21-7 / 6-chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine

6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine | MFCD09972195 | 1,2,4-Triazolo[4,3-a]pyridine, 6-chloro-8-fluoro-

Standard CAS: 1020253-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020253-21-7
Multi CAS
No
Molecular Formula
C6H3ClFN3
Molecular Weight
171.560000
Exact Mass
170.999953
SMILES
C1=C(C2=NN=CN2C=C1Cl)F
InChI
InChI=1S/C6H3ClFN3/c7-4-1-5(8)6-10-9-3-11(6)2-4/h1-3H
InChIKey
MPWOTLGGVKVFFF-UHFFFAOYSA-N
Synonyms
6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine MFCD09972195 1,2,4-Triazolo[4,3-a]pyridine, 6-chloro-8-fluoro- SCHEMBL22230311 DTXSID40674365

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
37.96
TPSA
30.19

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.9
Consensus LogP
1.59
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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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