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CAS 1211530-89-0 2-Bromo-3-fluoro-4-pyridinecarboxylic acid molecular structure lightbox
CAS RN: 1211530-89-0

2-Bromo-3-fluoro-4-pyridinecarboxylic acid

  • Product code: SSC-022651
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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, 0.25g, 10g, 25g
  • 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 1211530-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 4 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

1211530-89-0 / 2-bromo-3-fluoropyridine-4-carboxylic acid

2-bromo-3-fluoropyridine-4-carboxylic acid | DTXSID50742640 | RefChem:257065

Standard CAS: 1211530-89-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211530-89-0
Multi CAS
No
Molecular Formula
C6H3BrFNO2
Molecular Weight
220.000000
Exact Mass
218.933120
SMILES
C1=CN=C(C(=C1C(=O)O)F)Br
InChI
InChI=1S/C6H3BrFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)
InChIKey
DHFIVEUMGCJILQ-UHFFFAOYSA-N
Synonyms
2-bromo-3-fluoropyridine-4-carboxylic acid DTXSID50742640 RefChem:257065 DTXCID90693384 833-008-5

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
38.85
TPSA
50.19

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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