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CAS 1100750-16-0 5,6,7,8-tetrahydroiMidazo[1,2-a]pyridin-6-ol molecular structure lightbox
CAS RN: 1100750-16-0

5,6,7,8-tetrahydroiMidazo[1,2-a]pyridin-6-ol

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  • Product code: starshine_CAS1100750-16-0
  • Purity/Analytical Methods: >99.0%
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1100750-16-0 / 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

5H,6H,7H,8H-IMIDAZO[1,2-A]PYRIDIN-6-OL | 5H,6H,7H,8H-imidazo(1,2-a)pyridin-6-ol | RefChem:538061

Standard CAS: 1100750-16-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1100750-16-0
Multi CAS
Yes
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
C1CC2=NC=CN2CC1O
InChI
InChI=1S/C7H10N2O/c10-6-1-2-7-8-3-4-9(7)5-6/h3-4,6,10H,1-2,5H2
InChIKey
QBXYDBADRJEYEN-UHFFFAOYSA-N
Synonyms
5H,6H,7H,8H-IMIDAZO[1,2-A]PYRIDIN-6-OL 5H,6H,7H,8H-imidazo(1,2-a)pyridin-6-ol RefChem:538061 974-396-7 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-6-ol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.55
TPSA
38.05

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
-0.2
Consensus LogP
0.05
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.43

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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