[email protected]
CAS 1196156-54-3 2-METHOXY-6-(PYRROLIDIN-3-YL)PYRIDINE molecular structure lightbox
CAS RN: 1196156-54-3

2-METHOXY-6-(PYRROLIDIN-3-YL)PYRIDINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1196156-54-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1196156-54-3 / 2-methoxy-6-pyrrolidin-3-ylpyridine

2-METHOXY-6-(PYRROLIDIN-3-YL)PYRIDINE | Pyridine, 2-methoxy-6-(3-pyrrolidinyl)- | 2-Methoxy-6-(3-pyrrolidinyl)pyridine

Standard CAS: 1196156-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196156-54-3
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
SMILES
COC1=CC=CC(=N1)C2CCNC2
InChI
InChI=1S/C10H14N2O/c1-13-10-4-2-3-9(12-10)8-5-6-11-7-8/h2-4,8,11H,5-7H2,1H3
InChIKey
CZCIYWVYEADJPW-UHFFFAOYSA-N
Synonyms
2-METHOXY-6-(PYRROLIDIN-3-YL)PYRIDINE Pyridine, 2-methoxy-6-(3-pyrrolidinyl)- 2-Methoxy-6-(3-pyrrolidinyl)pyridine 2-methoxy-6-pyrrolidin-3-ylpyridine 2-methoxy-6-pyrrolidin-3-yl-pyridine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.02
TPSA
34.15

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us