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 | Shanghai | Inquiry |
1188433-88-6 / 2-amino-5-fluoropyridine-3-carbaldehyde
2-Amino-5-fluoro-pyridine-3-carbaldehyde | 2-amino-5-fluoropyridine-3-carbaldehyde | 2-AMINO-5-FLUORONICOTINALDEHYDE
Basic Information
CAS
1188433-88-6
Multi CAS
No
Molecular Formula
C6H5FN2O
Molecular Weight
140.110000
Exact Mass
140.038591
SMILES
C1=C(C=NC(=C1C=O)N)F
InChI
InChI=1S/C6H5FN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-3H,(H2,8,9)
InChIKey
WAPFBFSGMCGIAL-UHFFFAOYSA-N
Synonyms
2-Amino-5-fluoro-pyridine-3-carbaldehyde
2-amino-5-fluoropyridine-3-carbaldehyde
2-AMINO-5-FLUORONICOTINALDEHYDE
MFCD13190372
SCHEMBL124004
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.99
TPSA
55.98
LogP / Solubility
WLOGP
0.62
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.14
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
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