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CAS 1016831-16-5 N’-hydroxy-2-methoxypyridine-3-carboximidamide molecular structure lightbox
CAS RN: 1016831-16-5

N’-hydroxy-2-methoxypyridine-3-carboximidamide

  • Product code: SSC-002589
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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 1016831-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1016831-16-5 / N'-hydroxy-2-methoxypyridine-3-carboximidamide

N-hydroxy-2-methoxypyridine-3-carboximidamide | N'-hydroxy-2-methoxypyridine-3-carboximidamide | MFCD19103530

Standard CAS: 1016831-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1016831-16-5
Multi CAS
Yes
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
SMILES
COC1=C(C=CC=N1)/C(=N/O)/N
InChI
InChI=1S/C7H9N3O2/c1-12-7-5(6(8)10-11)3-2-4-9-7/h2-4,11H,1H3,(H2,8,10)
InChIKey
RAYUQMMNNYGOOE-UHFFFAOYSA-N
Synonyms
N-hydroxy-2-methoxypyridine-3-carboximidamide N'-hydroxy-2-methoxypyridine-3-carboximidamide MFCD19103530 3-pyridinecarboximidamide, N-hydroxy-2-methoxy- (Z)-N'-Hydroxy-2-methoxynicotinimidamide

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.3
TPSA
80.73

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.3
Consensus LogP
0.21
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.61

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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