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CAS 154012-18-7 4,6-Dichloro-5-fluoronicotinic acid molecular structure lightbox
CAS RN: 154012-18-7

4,6-Dichloro-5-fluoronicotinic acid

  • Product code: SSC-063393
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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, 0.25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 154012-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 4 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

154012-18-7 / 4,6-dichloro-5-fluoropyridine-3-carboxylic acid

Standard CAS: 154012-18-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
154012-18-7
Multi CAS
No
Molecular Formula
C6H2Cl2FNO2
Molecular Weight
209.990000
Exact Mass
208.944662
SMILES
C1=C(C(=C(C(=N1)Cl)F)Cl)C(=O)O
InChI
InChI=1S/C6H2Cl2FNO2/c7-3-2(6(11)12)1-10-5(8)4(3)9/h1H,(H,11,12)
InChIKey
UYTWCEYZEQBILY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.17
TPSA
50.19

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.1
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.42

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
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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