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CAS 1357946-64-5 3-c]pyridine molecular structure lightbox
CAS RN: 1357946-64-5

3-c]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1357946-64-5
  • Purity/Analytical Methods: >99.0%
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1357946-64-5 / 3-chloro-2H-pyrazolo[4,3-c]pyridine

Standard CAS: 1357946-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357946-64-5
Multi CAS
No
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=CN=CC2=C(NN=C21)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-4-3-8-2-1-5(4)9-10-6/h1-3H,(H,9,10)
InChIKey
BUBPUTROLDBJKC-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
Leadlikeness
No
Synthetic Accessibility
1.5

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