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CAS 1025720-99-3 3,4-DICHLOROPICOLINAMIDE molecular structure lightbox
CAS RN: 1025720-99-3

3,4-DICHLOROPICOLINAMIDE

  • Product code: SSC-003840
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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, 0.25g, 5g, 0.1g
  • 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 1025720-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry

1025720-99-3 / 3,4-dichloropyridine-2-carboxamide

3,4-dichloropyridine-2-carboxamide | DTXSID80631159 | RefChem:270872

Standard CAS: 1025720-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1025720-99-3
Multi CAS
No
Molecular Formula
C6H4Cl2N2O
Molecular Weight
191.010000
Exact Mass
189.970068
SMILES
C1=CN=C(C(=C1Cl)Cl)C(=O)N
InChI
InChI=1S/C6H4Cl2N2O/c7-3-1-2-10-5(4(3)8)6(9)11/h1-2H,(H2,9,11)
InChIKey
QEYCCTFCRIPTDO-UHFFFAOYSA-N
Synonyms
3,4-dichloropyridine-2-carboxamide DTXSID80631159 RefChem:270872 DTXCID10581911 3,4-dichloropicolinamide

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
42.77
TPSA
55.98

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.83

Drug-likeness / Medicinal Chemistry

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

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