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CAS 1227587-24-7 2-chloro-3-trifluoroMethylisonicotinic acid molecular structure lightbox
CAS RN: 1227587-24-7

2-chloro-3-trifluoroMethylisonicotinic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-026118
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1227587-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1227587-24-7 / 2-chloro-3-(trifluoromethyl)pyridine-4-carboxylic acid

Standard CAS: 1227587-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227587-24-7
Multi CAS
No
Molecular Formula
C7H3ClF3NO2
Molecular Weight
225.550000
Exact Mass
224.980441
SMILES
C1=CN=C(C(=C1C(=O)O)C(F)(F)F)Cl
InChI
InChI=1S/C7H3ClF3NO2/c8-5-4(7(9,10)11)3(6(13)14)1-2-12-5/h1-2H,(H,13,14)
InChIKey
DIPOFUPESWIQSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.21
TPSA
50.19

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.35

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

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