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CAS 1146080-86-5 1-(1-(pyridin-2-yl)-1H-pyrrol-2-yl)ethanone, 98+% C11H10N2O, MW: 186.21 molecular structure lightbox
CAS RN: 1146080-86-5

1-(1-(pyridin-2-yl)-1H-pyrrol-2-yl)ethanone, 98+% C11H10N2O, MW: 186.21

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1146080-86-5
  • Purity/Analytical Methods: >99.0%
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1146080-86-5 / 1-(1-pyridin-2-ylpyrrol-2-yl)ethanone

1-(1-(pyridin-2-yl)-1H-pyrrol-2-yl)ethanone | 1-(1-pyridin-2-ylpyrrol-2-yl)ethanone | 1-(1-(pyridin-2-yl)-1H-pyrrol-2-yl)ethan-1-one

Standard CAS: 1146080-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1146080-86-5
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
CC(=O)C1=CC=CN1C2=CC=CC=N2
InChI
InChI=1S/C11H10N2O/c1-9(14)10-5-4-8-13(10)11-6-2-3-7-12-11/h2-8H,1H3
InChIKey
TZBXDCGFPZVQHN-UHFFFAOYSA-N
Synonyms
1-(1-(pyridin-2-yl)-1H-pyrrol-2-yl)ethanone 1-(1-pyridin-2-ylpyrrol-2-yl)ethanone 1-(1-(pyridin-2-yl)-1H-pyrrol-2-yl)ethan-1-one 1-[1-(Pyridin-2-yl)-1H-pyrrol-2-yl]ethan-1-one 2-acetyl-1-(2-pyridyl)pyrrole

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.57
TPSA
34.89

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

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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