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CAS 89076-64-2 5-NITRO-2-PHENYLPYRIDINE molecular structure lightbox
CAS RN: 89076-64-2

5-NITRO-2-PHENYLPYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 1g / 5g / 50g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89076-64-2
  • Purity/Analytical Methods: >99.0%
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89076-64-2 / 5-nitro-2-phenylpyridine

Standard CAS: 89076-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89076-64-2
Multi CAS
No
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
InChI
InChI=1S/C11H8N2O2/c14-13(15)10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
WJOAJTWVYTULDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.33
TPSA
56.03

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.05

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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