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CAS 21901-43-9 2-(DIMETHYLAMINO)-5-NITRO-4-PICOLINE molecular structure lightbox
CAS RN: 21901-43-9

2-(DIMETHYLAMINO)-5-NITRO-4-PICOLINE

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 100mg Out of stock Inquiry
Batchno.20250517 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250709 1g Out of stock Inquiry
Batchno.20260403 250mg Out of stock Inquiry
  • Product code: starshine_CAS21901-43-9
  • Purity/Analytical Methods: >99.0%
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21901-43-9 / N,N,4-trimethyl-5-nitropyridin-2-amine

Standard CAS: 21901-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21901-43-9
Multi CAS
No
Molecular Formula
C8H11N3O2
Molecular Weight
181.190000
Exact Mass
181.085127
SMILES
CC1=CC(=NC=C1[N+](=O)[O-])N(C)C
InChI
InChI=1S/C8H11N3O2/c1-6-4-8(10(2)3)9-5-7(6)11(12)13/h4-5H,1-3H3
InChIKey
DYWNXEBDWSWLEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.96
TPSA
59.27

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.86

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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