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CAS 26930-71-2 3-NITRO-2-(1-PIPERIDINYL)PYRIDINE molecular structure lightbox
CAS RN: 26930-71-2

3-NITRO-2-(1-PIPERIDINYL)PYRIDINE

  • Product code: SSC-125354
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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 26930-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

26930-71-2 / 3-nitro-2-piperidin-1-ylpyridine

Standard CAS: 26930-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26930-71-2
Multi CAS
No
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
SMILES
C1CCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O2/c14-13(15)9-5-4-6-11-10(9)12-7-2-1-3-8-12/h4-6H,1-3,7-8H2
InChIKey
BZBDHAOGBMKWDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.96
TPSA
59.27

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.58

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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