CAS RN: 1887015-55-5
2-Pyridinecarbonitrile, 5-fluoro-1,6-dihydro-1-methyl-6-oxo-
- Product code: SSC-087834
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1887015-55-5 / 5-fluoro-1-methyl-6-oxopyridine-2-carbonitrile
Basic Information
CAS
1887015-55-5
Multi CAS
No
Molecular Formula
C7H5FN2O
Molecular Weight
152.130000
Exact Mass
152.038591
SMILES
CN1C(=CC=C(C1=O)F)C#N
InChI
InChI=1S/C7H5FN2O/c1-10-5(4-9)2-3-6(8)7(10)11/h2-3H,1H3
InChIKey
VMUOXNQVBSAYQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
36.36
TPSA
45.79
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
0.6
Consensus LogP
0.45
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-3.37
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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![CAS 1887135-96-7 4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1887135-96-7.gif)
![CAS 1887135-97-8 “IN1705, (4,8-Bis(5-(dodecylthio)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(trimethylstannane)” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1887135-97-8.gif)
