CAS RN: 34668-29-6

5-nitrofuro[2,3-b]pyridine

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  • Product code: starshine_CAS34668-29-6
  • Purity/Analytical Methods: >99.0%
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34668-29-6 / 5-nitrofuro[2,3-b]pyridine

Standard CAS: 34668-29-6 Multi CAS: No

Basic Information

CAS
34668-29-6
Multi CAS
No
Molecular Formula
C7H4N2O3
Molecular Weight
164.120000
Exact Mass
164.022192
InChI
InChI=1S/C7H4N2O3/c10-9(11)6-3-5-1-2-12-7(5)8-4-6/h1-4H
InChIKey
UHZSTGZOKUNPJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.66
TPSA
69.17

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.49

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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