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CAS 1189513-50-5 3-Bromo-5-chloropyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 1189513-50-5

3-Bromo-5-chloropyridine-2-carboxylic acid

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 250mg / 25g / 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 1g In stock Inquiry
Batchno.20251006 25g In stock Inquiry
Batchno.20250924 5g In stock Inquiry
  • Product code: SSC-019169
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 1189513-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 4 In Stock Shenzhen Inquiry
10g ≥97% 1 In Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

1189513-50-5 / 3-bromo-5-chloropyridine-2-carboxylic acid

5-Bromo-2-chloronitrobenzene | 4-bromo-1-chloro-2-nitrobenzene | DTXSID80355888

Standard CAS: 1189513-50-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1189513-50-5
Multi CAS
Yes
Molecular Formula
C6H3BrClNO2
Molecular Weight
236.450000
Exact Mass
234.903570
SMILES
C1=C(C=NC(=C1Br)C(=O)O)Cl
InChI
InChI=1S/C6H3BrClNO2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,(H,10,11)
InChIKey
IUWXGYGVXBPNHT-UHFFFAOYSA-N
Synonyms
5-Bromo-2-chloronitrobenzene 4-bromo-1-chloro-2-nitrobenzene DTXSID80355888 RefChem:533148 DTXCID90306947

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.91
TPSA
50.19

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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