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CAS 886371-75-1 2-CHLORO-3-METHOXY-6-NITRO-PYRIDINE molecular structure lightbox
CAS RN: 886371-75-1

2-CHLORO-3-METHOXY-6-NITRO-PYRIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS886371-75-1
  • Purity/Analytical Methods: >99.0%
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886371-75-1 / 2-chloro-3-methoxy-6-nitropyridine

Standard CAS: 886371-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886371-75-1
Multi CAS
No
Molecular Formula
C6H5CLN2O3
Molecular Weight
188.570000
Exact Mass
187.998870
InChI
InChI=1S/C6H5ClN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3
InChIKey
XJSAWHJQCHAIDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.45
TPSA
65.26

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.9
Consensus LogP
1.67
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.7

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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