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CAS 2604-39-9 2-Chloro-5-nitropyridin-4-amine molecular structure lightbox
CAS RN: 2604-39-9

2-Chloro-5-nitropyridin-4-amine

  • Product code: SSC-122871
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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, 0.1g, 0.25g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 7
  • 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 2604-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry
25g ≥95% 2 In Stock Hong Kong Inquiry
100g ≥95% 1 In Stock Hong Kong Inquiry

2604-39-9 / 2-chloro-5-nitropyridin-4-amine

Standard CAS: 2604-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2604-39-9
Multi CAS
No
Molecular Formula
C5H4ClN3O2
Molecular Weight
173.560000
Exact Mass
172.999204
SMILES
C1=C(C(=CN=C1Cl)[N+](=O)[O-])N
InChI
InChI=1S/C5H4ClN3O2/c6-5-1-3(7)4(2-8-5)9(10)11/h1-2H,(H2,7,8)
InChIKey
YKWBEPUOVBMENG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.31
TPSA
82.05

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.5
Consensus LogP
1.27
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

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