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CAS 132261-24-6 2-Chloro-1H-iMidazo[4,5-b]pyridine hydrochloride molecular structure lightbox
CAS RN: 132261-24-6

2-Chloro-1H-iMidazo[4,5-b]pyridine hydrochloride

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Batchno.20260226 1g In stock Shanghai Inquiry
Batchno.20250402 5g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS132261-24-6
  • Purity/Analytical Methods: >99.0%
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132261-24-6 / 2-chloro-1H-imidazo[4,5-b]pyridine;hydrochloride

Standard CAS: 132261-24-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132261-24-6
Multi CAS
No
Molecular Formula
C6H5Cl2N3
Molecular Weight
190.030000
Exact Mass
188.986053
SMILES
C1=CC2=C(N=C1)N=C(N2)Cl.Cl
InChI
InChI=1S/C6H4ClN3.ClH/c7-6-9-4-2-1-3-8-5(4)10-6;/h1-3H,(H,8,9,10);1H
InChIKey
QOAXDAFCYWBWBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.15
TPSA
41.57

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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