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: 0.1g, 0.25g, 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.
1033203-43-8 / 2-bromo-4,5-difluoropyridine
2-bromo-4,5-difluoropyridine | MFCD11100657 | 2-bromo-4,5-difluoro-pyridine
Basic Information
CAS
1033203-43-8
Multi CAS
No
Molecular Formula
C5H2BrF2N
Molecular Weight
193.980000
Exact Mass
192.933870
SMILES
C1=C(C(=CN=C1Br)F)F
InChI
InChI=1S/C5H2BrF2N/c6-5-1-3(7)4(8)2-9-5/h1-2H
InChIKey
PPNCLKCCOACQRA-UHFFFAOYSA-N
Synonyms
2-bromo-4,5-difluoropyridine
MFCD11100657
2-bromo-4,5-difluoro-pyridine
SCHEMBL26600924
AKOS006307391
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.85
TPSA
12.89
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.4
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
