![CAS 1235993-30-2 IMidazo[1,2-a]pyridine, 6-fluoro-3-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1235993-30-2.gif)
CAS RN: 1235993-30-2
IMidazo[1,2-a]pyridine, 6-fluoro-3-nitro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250217 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1235993-30-2
- Purity/Analytical Methods: >99.0%
1235993-30-2 / 6-fluoro-3-nitroimidazo[1,2-a]pyridine
Basic Information
CAS
1235993-30-2
Multi CAS
No
Molecular Formula
C7H4FN3O2
Molecular Weight
181.120000
Exact Mass
181.028755
SMILES
C1=CC2=NC=C(N2C=C1F)[N+](=O)[O-]
InChI
InChI=1S/C7H4FN3O2/c8-5-1-2-6-9-3-7(11(12)13)10(6)4-5/h1-4H
InChIKey
WTEGDZZHPUPJCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.8
TPSA
60.44
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
2
Consensus LogP
1.53
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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