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CAS 45965-30-8 2-Acetamido-5-chloropyridine molecular structure lightbox
CAS RN: 45965-30-8

2-Acetamido-5-chloropyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS45965-30-8
  • Purity/Analytical Methods: >99.0%
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45965-30-8 / N-(5-chloro-2-pyridinyl)acetamide

Standard CAS: 45965-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
45965-30-8
Multi CAS
No
Molecular Formula
C7H7CLN2O
Molecular Weight
170.590000
Exact Mass
170.024691
InChI
InChI=1S/C7H7ClN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)
InChIKey
MCCVKQDZALWIQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.55
TPSA
41.99

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1
Consensus LogP
1.39
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.56

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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