CAS RN: 100446-37-5
Pyridine, 4-(2-nitroethenyl)-, (E)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250119 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS100446-37-5
- Purity/Analytical Methods: >99.0%
100446-37-5 / 4-[(E)-2-nitroethenyl]pyridine
4-(2-nitroethenyl)pyridine | 4-(2-NITROVINYL)PYRIDINE | SCHEMBL940946
Basic Information
CAS
100446-37-5
Multi CAS
Yes
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
SMILES
C1=CN=CC=C1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O2/c10-9(11)6-3-7-1-4-8-5-2-7/h1-6H/b6-3+
InChIKey
MUHDOWRKJXJUNC-ZZXKWVIFSA-N
Synonyms
4-(2-nitroethenyl)pyridine
4-(2-NITROVINYL)PYRIDINE
SCHEMBL940946
SCHEMBL3959576
SCHEMBL3959578
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.27
TPSA
56.03
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.69
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
Customers Also Viewed
-
ROSIRIDIN
- CAS RN: 100462-37-1
- Product Code: starshine_CAS100462-37-1
- Purity/Analytical method: >99.0%
-
diethyl (6-bromohexanyl)phosphonate
- CAS RN: 100462-72-4
- Product Code: starshine_CAS100462-72-4
- Purity/Analytical method: >99.0%
-
diethyl 7-bromoheptylphosphonate
- CAS RN: 100462-73-5
- Product Code: starshine_CAS100462-73-5
- Purity/Analytical method: >99.0%
-
-
entadamide A
- CAS RN: 100477-88-1
- Product Code: starshine_CAS100477-88-1
- Purity/Analytical method: >99.0%
-
Ethyl 7-chloro-1H-pyrazolo[4,3-b]pyridine-6-carboxylate
- CAS RN: 100478-04-4
- Product Code: starshine_CAS100478-04-4
- Purity/Analytical method: >99.0%
![CAS 100478-04-4 Ethyl 7-chloro-1H-pyrazolo[4,3-b]pyridine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100478-04-4(2).gif)