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CAS 1094323-19-9 6-Chloro-2-ethoxy-3-nitropyridine molecular structure lightbox
CAS RN: 1094323-19-9

6-Chloro-2-ethoxy-3-nitropyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010769
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1094323-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094323-19-9 / 6-chloro-2-ethoxy-3-nitropyridine

6-chloro-2-ethoxy-3-nitropyridine | MFCD11206152 | SCHEMBL10696793

Standard CAS: 1094323-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094323-19-9
Multi CAS
No
Molecular Formula
C7H7ClN2O3
Molecular Weight
202.590000
Exact Mass
202.014520
SMILES
CCOC1=C(C=CC(=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O3/c1-2-13-7-5(10(11)12)3-4-6(8)9-7/h3-4H,2H2,1H3
InChIKey
XJUSTFBLMBHYOD-UHFFFAOYSA-N
Synonyms
6-chloro-2-ethoxy-3-nitropyridine MFCD11206152 SCHEMBL10696793 XJUSTFBLMBHYOD-UHFFFAOYSA-N 6-chloro-2-ethoxy-3-nitro-pyridine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
47.07
TPSA
65.26

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.51

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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