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CAS 77199-09-8 5-bromo-2-pyridinecarboxylic acid ethyl ester molecular structure lightbox
CAS RN: 77199-09-8

5-bromo-2-pyridinecarboxylic acid ethyl ester

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 1g In stock Inquiry
Batchno.20251128 25g In stock Inquiry
Batchno.20250106 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-186680
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

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

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 77199-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

77199-09-8 / ethyl 5-bromopyridine-2-carboxylate

Standard CAS: 77199-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77199-09-8
Multi CAS
No
Molecular Formula
BC8H8O2Rn
Molecular Weight
230.060000
Exact Mass
228.973840
InChI
InChI=1S/C8H8BrNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKey
MVJPVDSRSXLJNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.89
TPSA
39.19

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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