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CAS 1821250-10-5 4-Chloro-2H-pyrazolo[4,3-c]pyridine molecular structure lightbox
CAS RN: 1821250-10-5

4-Chloro-2H-pyrazolo[4,3-c]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: LINC899832
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1821250-10-5 / 4-chloro-1H-pyrazolo[4,5-c]pyridine

Standard CAS: 1821250-10-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1821250-10-5
Multi CAS
No
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=CN=C(C2=C1NN=C2)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-4-3-9-10-5(4)1-2-8-6/h1-3H,(H,9,10)
InChIKey
FUXZQGSDRGDYGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.9
TPSA
41.57

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-2.51

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] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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