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CAS 101001-90-5 2,2′-BIPYRIDIN-6-OL molecular structure lightbox
CAS RN: 101001-90-5

2,2′-BIPYRIDIN-6-OL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS101001-90-5
  • Purity/Analytical Methods: >99.0%
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101001-90-5 / 6-pyridin-2-yl-1H-pyridin-2-one

[2,2'-Bipyridin]-6(1H)-one | DTXSID60348692 | (2,2'-Bipyridin)-6(1H)-one

Standard CAS: 101001-90-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101001-90-5
Multi CAS
Yes
Molecular Formula
C10H8N2O
Molecular Weight
172.180000
Exact Mass
172.063663
SMILES
C1=CC=NC(=C1)C2=CC=CC(=O)N2
InChI
InChI=1S/C10H8N2O/c13-10-6-3-5-9(12-10)8-4-1-2-7-11-8/h1-7H,(H,12,13)
InChIKey
KQMDYEHNMPSHJE-UHFFFAOYSA-N
Synonyms
[2,2'-Bipyridin]-6(1H)-one DTXSID60348692 (2,2'-Bipyridin)-6(1H)-one RefChem:1049561 DTXCID90299764

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.29
TPSA
45.75

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
0.8
Consensus LogP
1.17
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-2.75

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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