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CAS 1956341-52-8 5-Chloro-2-ethynylpyridine hydrochloride molecular structure lightbox
CAS RN: 1956341-52-8

5-Chloro-2-ethynylpyridine hydrochloride

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260601 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250316 100mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260202 1g Out of stock Inquiry
Batchno.20251003 250mg In stock Chengdu Inquiry
  • Product code: starshine_CAS1956341-52-8
  • Purity/Analytical Methods: >99.0%
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1956341-52-8 / 5-chloro-2-ethynylpyridine;hydrochloride

Standard CAS: 1956341-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956341-52-8
Multi CAS
No
Molecular Formula
C7H5Cl2N
Molecular Weight
174.020000
Exact Mass
172.979905
SMILES
C#CC1=NC=C(C=C1)Cl.Cl
InChI
InChI=1S/C7H4ClN.ClH/c1-2-7-4-3-6(8)5-9-7;/h1,3-5H;1H
InChIKey
NFTDEQDIPDVKBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.43
TPSA
12.89

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2.14
Consensus LogP
2.05
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.26

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

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