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CAS 236092-96-9 6-FLUORO-5-NITROQUINOLINE molecular structure lightbox
CAS RN: 236092-96-9

6-FLUORO-5-NITROQUINOLINE

  • Product code: SSC-114892
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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 236092-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

236092-96-9 / 6-fluoro-5-nitroquinoline

Standard CAS: 236092-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
236092-96-9
Multi CAS
No
Molecular Formula
C9H5FN2O2
Molecular Weight
192.150000
Exact Mass
192.033506
SMILES
C1=CC2=C(C=CC(=C2[N+](=O)[O-])F)N=C1
InChI
InChI=1S/C9H5FN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
InChIKey
LXLFTPABKFODKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.36
TPSA
56.03

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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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