[email protected]
CAS 25551-59-1 4-(2-Nitroanilino)-pyridine molecular structure lightbox
CAS RN: 25551-59-1

4-(2-Nitroanilino)-pyridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS25551-59-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

25551-59-1 / N-(2-nitrophenyl)pyridin-4-amine

Standard CAS: 25551-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25551-59-1
Multi CAS
No
Molecular Formula
C11H9N3O2
Molecular Weight
215.210000
Exact Mass
215.069477
SMILES
C1=CC=C(C(=C1)NC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O2/c15-14(16)11-4-2-1-3-10(11)13-9-5-7-12-8-6-9/h1-8H,(H,12,13)
InChIKey
VHQUELUASRQSPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.62
TPSA
68.06

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.09

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

Customers Also Viewed

Get In Touch

Contact Us