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CAS 1187732-70-2 2-Ethoxy-4-nitropyridine molecular structure lightbox
CAS RN: 1187732-70-2

2-Ethoxy-4-nitropyridine

  • Product code: SSC-018731
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1187732-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1187732-70-2 / 2-ethoxy-4-nitropyridine

2-Ethoxy-4-nitropyridine | MFCD13181671 | 2-ethoxy-4-nitro-pyridine

Standard CAS: 1187732-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187732-70-2
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
CCOC1=NC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c1-2-12-7-5-6(9(10)11)3-4-8-7/h3-5H,2H2,1H3
InChIKey
KMLVTBQETPUDFG-UHFFFAOYSA-N
Synonyms
2-Ethoxy-4-nitropyridine MFCD13181671 2-ethoxy-4-nitro-pyridine DTXSID40704510 AC1593

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.06
TPSA
65.26

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.8
Consensus LogP
1.47
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-2.76

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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