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CAS 284040-69-3 5-Chloropyridine-3-carboxamide molecular structure lightbox
CAS RN: 284040-69-3

5-Chloropyridine-3-carboxamide

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4 package records3 with current stock2 grade groups
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Batchno.20260528 1g In stock Inquiry
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  • Product code: starshine_CAS284040-69-3
  • Purity/Analytical Methods: >99.0%
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284040-69-3 / 5-chloropyridine-3-carboxamide

Standard CAS: 284040-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
284040-69-3
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
C1=C(C=NC=C1Cl)C(=O)N
InChI
InChI=1S/C6H5ClN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChIKey
LNNDTIIAQNGGPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.76
TPSA
55.98

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.08

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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