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CAS 1210041-69-2 3-Fluoro-2-methoxyisonicotinonitrile molecular structure lightbox
CAS RN: 1210041-69-2

3-Fluoro-2-methoxyisonicotinonitrile

  • Product code: SSC-022370
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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 1210041-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1210041-69-2 / 3-fluoro-2-methoxypyridine-4-carbonitrile

3-Fluoro-2-methoxy-4-pyridinecarbonitrile | RefChem:279359 | 3-Fluoro-2-methoxyisonicotinonitrile

Standard CAS: 1210041-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1210041-69-2
Multi CAS
No
Molecular Formula
C7H5FN2O
Molecular Weight
152.130000
Exact Mass
152.038591
SMILES
COC1=NC=CC(=C1F)C#N
InChI
InChI=1S/C7H5FN2O/c1-11-7-6(8)5(4-9)2-3-10-7/h2-3H,1H3
InChIKey
ZNGPCHNCEWFARD-UHFFFAOYSA-N
Synonyms
3-Fluoro-2-methoxy-4-pyridinecarbonitrile RefChem:279359 3-Fluoro-2-methoxyisonicotinonitrile 3-fluoro-2-methoxypyridine-4-carbonitrile MFCD27997090

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.46
TPSA
45.91

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-2.87

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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