![CAS 1263374-07-7 2-PyridinaMine, 6-broMo-N-[(3-fluorophenyl)Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263374-07-7.gif)
CAS RN: 1263374-07-7
2-PyridinaMine, 6-broMo-N-[(3-fluorophenyl)Methyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263374-07-7
- Purity/Analytical Methods: >99.0%
1263374-07-7 / 6-bromo-N-[(3-fluorophenyl)methyl]pyridin-2-amine
Basic Information
CAS
1263374-07-7
Multi CAS
No
Molecular Formula
C12H10BrFN2
Molecular Weight
281.120000
Exact Mass
280.001140
SMILES
C1=CC(=CC(=C1)F)CNC2=NC(=CC=C2)Br
InChI
InChI=1S/C12H10BrFN2/c13-11-5-2-6-12(16-11)15-8-9-3-1-4-10(14)7-9/h1-7H,8H2,(H,15,16)
InChIKey
WZOQFBWWCYBZCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.66
TPSA
24.92
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.8
Consensus LogP
3.52
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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