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CAS 1374986-27-2 6-chloro-3-hydroxypyrazine-2-carbonitrile molecular structure lightbox
CAS RN: 1374986-27-2

6-chloro-3-hydroxypyrazine-2-carbonitrile

  • Product code: SSC-047130
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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 1374986-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1374986-27-2 / 5-chloro-2-oxo-1H-pyrazine-3-carbonitrile

Standard CAS: 1374986-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374986-27-2
Multi CAS
No
Molecular Formula
C5H2ClN3O
Molecular Weight
155.540000
Exact Mass
154.988639
SMILES
C1=C(N=C(C(=O)N1)C#N)Cl
InChI
InChI=1S/C5H2ClN3O/c6-4-2-8-5(10)3(1-7)9-4/h2H,(H,8,10)
InChIKey
NQQFCHRUOOLEAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.58
TPSA
69.54

LogP / Solubility

WLOGP
0.29
MLOGP
0.25
XLogP3
0.3
Consensus LogP
0.28
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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