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CAS 1074-98-2 3-Methyl-4-nitropyridine N-Oxide molecular structure lightbox
CAS RN: 1074-98-2

3-Methyl-4-nitropyridine N-Oxide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260616 100g In stock Inquiry
Batchno.20251202 1g In stock Inquiry
Batchno.20260625 25g In stock Inquiry
Batchno.20250917 5g In stock Inquiry
  • Product code: SSC-009008
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1074-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1074-98-2 / 3-methyl-4-nitro-1-oxidopyridin-1-ium

3-Methyl-4-nitropyridine 1-oxide | 3-Methyl-4-nitropyridine N-oxide | 5-Methyl-4-nitropyridine N-oxide

Standard CAS: 1074-98-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1074-98-2
Multi CAS
Yes
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
SMILES
CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3
InChIKey
SSOURMYKACOBIV-UHFFFAOYSA-N
Synonyms
3-Methyl-4-nitropyridine 1-oxide 3-Methyl-4-nitropyridine N-oxide 5-Methyl-4-nitropyridine N-oxide 4-Nitro-3-picoline 1-oxide Pyridine, 3-methyl-4-nitro-, 1-oxide

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.79
TPSA
70.08

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.1
Consensus LogP
0.37
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.28

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)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (87%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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