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CAS 803700-29-0 3-(3-fluoro-5-nitrophenoxy)pyridine molecular structure lightbox
CAS RN: 803700-29-0

3-(3-fluoro-5-nitrophenoxy)pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS803700-29-0
  • Purity/Analytical Methods: >99.0%
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803700-29-0 / 3-(3-fluoro-5-nitrophenoxy)pyridine

Standard CAS: 803700-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
803700-29-0
Multi CAS
No
Molecular Formula
C11FH7N2O3
Molecular Weight
234.180000
Exact Mass
234.044070
InChI
InChI=1S/C11H7FN2O3/c12-8-4-9(14(15)16)6-11(5-8)17-10-2-1-3-13-7-10/h1-7H
InChIKey
DBJJZYUJIVEGND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
57.37
TPSA
65.26

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.3
Consensus LogP
2.6
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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