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CAS 757903-81-4 3-Pyridinecarboxylicacid,5,6-dimethyl-(9CI) molecular structure lightbox
CAS RN: 757903-81-4

3-Pyridinecarboxylicacid,5,6-dimethyl-(9CI)

  • Product code: SSC-185218
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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 757903-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

757903-81-4 / 5,6-dimethylpyridine-3-carboxylic acid

Standard CAS: 757903-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
757903-81-4
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-9-6(5)2/h3-4H,1-2H3,(H,10,11)
InChIKey
OTLMJDZYTWGGGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.67
TPSA
50.19

LogP / Solubility

WLOGP
1.4
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.65

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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