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CAS 1211528-10-7 3-Methoxy-5-fluoro-2-nitro pyridine molecular structure lightbox
CAS RN: 1211528-10-7

3-Methoxy-5-fluoro-2-nitro pyridine

  • Product code: SSC-022627
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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 1211528-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1211528-10-7 / 5-fluoro-3-methoxy-2-nitropyridine

5-Fluoro-3-methoxy-2-nitropyridine | MFCD16659145 | 3-Methoxy-5-fluoro-2-nitro pyridine

Standard CAS: 1211528-10-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211528-10-7
Multi CAS
No
Molecular Formula
C6H5FN2O3
Molecular Weight
172.110000
Exact Mass
172.028420
SMILES
COC1=C(N=CC(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O3/c1-12-5-2-4(7)3-8-6(5)9(10)11/h2-3H,1H3
InChIKey
WPLJARUJRAFCDY-UHFFFAOYSA-N
Synonyms
5-Fluoro-3-methoxy-2-nitropyridine MFCD16659145 3-Methoxy-5-fluoro-2-nitro pyridine 5-fluoro-3-methoxy-2-nitro-pyridine SY265760

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
37.4
TPSA
65.26

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.96

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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