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CAS 1214366-19-4 2,5-Dichloro-3-methoxypyridine molecular structure lightbox
CAS RN: 1214366-19-4

2,5-Dichloro-3-methoxypyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1214366-19-4
  • Purity/Analytical Methods: >99.0%
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1214366-19-4 / 2,5-dichloro-3-methoxypyridine

Standard CAS: 1214366-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214366-19-4
Multi CAS
No
Molecular Formula
C6H5Cl2NO
Molecular Weight
178.010000
Exact Mass
176.974819
SMILES
COC1=C(N=CC(=C1)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKey
PXCQZJSWAAJVCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.81
TPSA
22.12

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.1

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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