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CAS 1694868-89-7 5-(2-Hydroxyethyl)nicotinonitrile molecular structure lightbox
CAS RN: 1694868-89-7

5-(2-Hydroxyethyl)nicotinonitrile

  • Product code: SSC-074071
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1694868-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1694868-89-7 / 5-(2-hydroxyethyl)pyridine-3-carbonitrile

Standard CAS: 1694868-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1694868-89-7
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
C1=C(C=NC=C1C#N)CCO
InChI
InChI=1S/C8H8N2O/c9-4-8-3-7(1-2-11)5-10-6-8/h3,5-6,11H,1-2H2
InChIKey
IIFNDFHFIDIWBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.74
TPSA
56.91

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.1
Consensus LogP
0.34
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.28

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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