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CAS 102879-35-6 2-Picoline,5-(1-methoxyvinyl)-(6CI) molecular structure lightbox
CAS RN: 102879-35-6

2-Picoline,5-(1-methoxyvinyl)-(6CI)

  • Product code: SSC-004230
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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 102879-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

102879-35-6 / 5-(1-methoxyethenyl)-2-methylpyridine

5-(1-Methoxyvinyl)-2-methylpyridine | SCHEMBL2659565 | SY367228

Standard CAS: 102879-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102879-35-6
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC1=NC=C(C=C1)C(=C)OC
InChI
InChI=1S/C9H11NO/c1-7-4-5-9(6-10-7)8(2)11-3/h4-6H,2H2,1,3H3
InChIKey
SBHSMWFXPYCCDX-UHFFFAOYSA-N
Synonyms
5-(1-Methoxyvinyl)-2-methylpyridine SCHEMBL2659565 SY367228

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.02
TPSA
22.12

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.21

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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