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CAS 1122-61-8 4-Nitropyridine molecular structure lightbox
CAS RN: 1122-61-8

4-Nitropyridine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260605 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250814 250mg In stock Shandong Inquiry
Batchno.20251004 5g In stock Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-012669
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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: 5g
  • 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 1122-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1122-61-8 / 4-nitropyridine

4-Nitropyridine | Pyridine, 4-nitro- | 59D3DS58ZB

Standard CAS: 1122-61-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1122-61-8
Multi CAS
Yes
Molecular Formula
C5H4N2O2
Molecular Weight
124.100000
Exact Mass
124.027277
SMILES
C1=CN=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
InChIKey
FEXIEMAAKBNTFK-UHFFFAOYSA-N
Synonyms
4-Nitropyridine Pyridine, 4-nitro- 59D3DS58ZB NSC-30350 DTXSID2074453

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.89
TPSA
56.03

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
0.3
Consensus LogP
0.72
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.77

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H311+H331 (33.3%): Toxic in contact with skin or if inhaled. [Danger Acute toxicity, dermal; acute toxicity, inhalation] H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501

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