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CAS 1166756-92-8 Ethyl 6-(1-Pyrrolidyl)pyridine-2-carboxylate molecular structure lightbox
CAS RN: 1166756-92-8

Ethyl 6-(1-Pyrrolidyl)pyridine-2-carboxylate

  • Product code: SSC-016608
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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: 5g
  • 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 1166756-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1166756-92-8 / ethyl 6-pyrrolidin-1-ylpyridine-2-carboxylate

ETHYL 6-(1-PYRROLIDYL)PYRIDINE-2-CARBOXYLATE | Ethyl 6-(pyrrolidin-1-yl)picolinate | ethyl 6-pyrrolidin-1-ylpyridine-2-carboxylate

Standard CAS: 1166756-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1166756-92-8
Multi CAS
No
Molecular Formula
C12H16N2O2
Molecular Weight
220.270000
Exact Mass
220.121178
SMILES
CCOC(=O)C1=NC(=CC=C1)N2CCCC2
InChI
InChI=1S/C12H16N2O2/c1-2-16-12(15)10-6-5-7-11(13-10)14-8-3-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKey
MVEKLASYSRICMW-UHFFFAOYSA-N
Synonyms
ETHYL 6-(1-PYRROLIDYL)PYRIDINE-2-CARBOXYLATE Ethyl 6-(pyrrolidin-1-yl)picolinate ethyl 6-pyrrolidin-1-ylpyridine-2-carboxylate MFCD12198900 DTXSID30700203

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.64
TPSA
42.43

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
2.3
Consensus LogP
1.93
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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