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CAS 50501-38-7 6-(HYDROXYMETHYL)-2-PYRIDINECARBONITRILE molecular structure lightbox
CAS RN: 50501-38-7

6-(HYDROXYMETHYL)-2-PYRIDINECARBONITRILE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 100mg In stock Shanghai Inquiry
Batchno.20251119 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260509 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260414 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250923 5g In stock Shanghai Inquiry
  • Product code: SSC-157060
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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: ＞97%
  • 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 50501-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

50501-38-7 / 6-(hydroxymethyl)pyridine-2-carbonitrile

Standard CAS: 50501-38-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50501-38-7
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
C1=CC(=NC(=C1)C#N)CO
InChI
InChI=1S/C7H6N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,5H2
InChIKey
VNXYECKZHAPGDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.87
TPSA
56.91

LogP / Solubility

WLOGP
0.45
MLOGP
0.38
XLogP3
-0.4
Consensus LogP
0.14
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.22

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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