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CAS 1004550-19-9 IMidazo[1,2-a]pyridine-6-Methanol, 3-broMo- molecular structure lightbox
CAS RN: 1004550-19-9

IMidazo[1,2-a]pyridine-6-Methanol, 3-broMo-

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  • Product code: starshine_CAS1004550-19-9
  • Purity/Analytical Methods: >99.0%
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1004550-19-9 / (3-bromoimidazo[1,2-a]pyridin-6-yl)methanol

(3-bromoimidazo[1,2-a]pyridin-6-yl)methanol | Imidazo[1,2-a]pyridine-6-methanol, 3-bromo- | MFCD13191321

Standard CAS: 1004550-19-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1004550-19-9
Multi CAS
Yes
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
C1=CC2=NC=C(N2C=C1CO)Br
InChI
InChI=1S/C8H7BrN2O/c9-7-3-10-8-2-1-6(5-12)4-11(7)8/h1-4,12H,5H2
InChIKey
OUPGBFXBSKELCN-UHFFFAOYSA-N
Synonyms
(3-bromoimidazo[1,2-a]pyridin-6-yl)methanol Imidazo[1,2-a]pyridine-6-methanol, 3-bromo- MFCD13191321 {3-bromoimidazo[1,2-a]pyridin-6-yl}methanol SCHEMBL4258498

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.81
TPSA
37.53

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.9
Consensus LogP
1.63
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.98

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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