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CAS 626-61-9 4-chloropyridine molecular structure lightbox
CAS RN: 626-61-9

4-chloropyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS626-61-9
  • Purity/Analytical Methods: >99.0%
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626-61-9 / 4-chloropyridine

Standard CAS: 626-61-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
626-61-9
Multi CAS
Yes
Molecular Formula
C5H4CLN
Molecular Weight
113.540000
Exact Mass
113.003227
InChI
InChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H
InChIKey
PVMNPAUTCMBOMO-UHFFFAOYSA-N

Physical Properties

Melting Point
-43.5 °C
Boiling Point
151 °C
Density
1.2000 g/cu cm at 25 °C
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
29.25
TPSA
12.89

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-2.18

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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