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CAS 1003711-13-4 2-AMINO-5-CYANO-3-NITROPYRIDINE molecular structure lightbox
CAS RN: 1003711-13-4

2-AMINO-5-CYANO-3-NITROPYRIDINE

  • Product code: SSC-000908
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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: 1g
  • 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 1003711-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1003711-13-4 / 6-amino-5-nitropyridine-3-carbonitrile

2-AMINO-5-CYANO-3-NITROPYRIDINE | 6-Amino-5-nitronicotinonitrile | 6-amino-5-nitropyridine-3-carbonitrile

Standard CAS: 1003711-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003711-13-4
Multi CAS
No
Molecular Formula
C6H4N4O2
Molecular Weight
164.120000
Exact Mass
164.033425
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])N)C#N
InChI
InChI=1S/C6H4N4O2/c7-2-4-1-5(10(11)12)6(8)9-3-4/h1,3H,(H2,8,9)
InChIKey
ZGTFLMGAQVWJEL-UHFFFAOYSA-N
Synonyms
2-AMINO-5-CYANO-3-NITROPYRIDINE 6-Amino-5-nitronicotinonitrile 6-amino-5-nitropyridine-3-carbonitrile MFCD09835241 2-AMINO-3-NITRO-5-CYANOPYRIDINE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
40.02
TPSA
105.84

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.6
Consensus LogP
0.48
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

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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