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 |
1179362-15-2 / 5-fluoropyridine-2-carboximidamide;hydrochloride
5-fluoropicolinimidamide hydrochloride | 5-FLUOROPYRIDINE-2-CARBOXAMIDINE HYDROCHLORIDE | MFCD12755545
Basic Information
CAS
1179362-15-2
Multi CAS
Yes
Molecular Formula
C6H7ClFN3
Molecular Weight
175.590000
Exact Mass
175.031253
SMILES
C1=CC(=NC=C1F)C(=N)N.Cl
InChI
InChI=1S/C6H6FN3.ClH/c7-4-1-2-5(6(8)9)10-3-4;/h1-3H,(H3,8,9);1H
InChIKey
ABPKTTZDUVDKMF-UHFFFAOYSA-N
Synonyms
5-fluoropicolinimidamide hydrochloride
5-FLUOROPYRIDINE-2-CARBOXAMIDINE HYDROCHLORIDE
MFCD12755545
2-Pyridinecarboximidamide, 5-fluoro-, hydrochloride (1:1)
5-fluoropyridine-2-carboximidamide;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.46
TPSA
62.76
LogP / Solubility
WLOGP
0.93
MLOGP
0.81
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.13
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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