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CAS 78686-80-3 6-BroMo-5-chloro-nicotinic acid Methyl ester molecular structure lightbox
CAS RN: 78686-80-3

6-BroMo-5-chloro-nicotinic acid Methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-188035
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 78686-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

78686-80-3 / methyl 6-bromo-5-chloropyridine-3-carboxylate

Standard CAS: 78686-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78686-80-3
Multi CAS
No
Molecular Formula
C7H5BRCLNO2
Molecular Weight
250.480000
Exact Mass
248.919220
InChI
InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,1H3
InChIKey
DVLLXKWMRGGKTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.29
TPSA
39.19

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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