[email protected]
CAS 106853-78-5 3-Pyridinecarbonitrile,6-ethoxy-(9CI) molecular structure lightbox
CAS RN: 106853-78-5

3-Pyridinecarbonitrile,6-ethoxy-(9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS106853-78-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

106853-78-5 / 6-ethoxypyridine-3-carbonitrile

6-ethoxypyridine-3-carbonitrile | DTXSID40596578 | RefChem:308242

Standard CAS: 106853-78-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106853-78-5
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
CCOC1=NC=C(C=C1)C#N
InChI
InChI=1S/C8H8N2O/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2H2,1H3
InChIKey
RBOHCYKUZOVCGH-UHFFFAOYSA-N
Synonyms
6-ethoxypyridine-3-carbonitrile DTXSID40596578 RefChem:308242 DTXCID60547340 860-410-8

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.12
TPSA
45.91

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.2
Consensus LogP
1.24
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us