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CAS 107465-26-9 7-broMo-[1,2,3]triazolo[1,5-a]pyridine molecular structure lightbox
CAS RN: 107465-26-9

7-broMo-[1,2,3]triazolo[1,5-a]pyridine

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Batchno.20250104 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS107465-26-9
  • Purity/Analytical Methods: >99.0%
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107465-26-9 / 7-bromotriazolo[1,5-a]pyridine

7-bromo-[1,2,3]triazolo[1,5-a]pyridine | 7-bromo[1,2,3]triazolo[1,5-a]pyridine | 7-Bromo(1,2,3)triazolo(1,5-a)pyridine

Standard CAS: 107465-26-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107465-26-9
Multi CAS
No
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=CC2=CN=NN2C(=C1)Br
InChI
InChI=1S/C6H4BrN3/c7-6-3-1-2-5-4-8-9-10(5)6/h1-4H
InChIKey
MAEKJMJZBRKGRA-UHFFFAOYSA-N
Synonyms
7-bromo-[1,2,3]triazolo[1,5-a]pyridine 7-bromo[1,2,3]triazolo[1,5-a]pyridine 7-Bromo(1,2,3)triazolo(1,5-a)pyridine 7-bromo-(1,2,3)triazolo(1,5-a)pyridine RefChem:545527

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.69
TPSA
30.19

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.87

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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