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CAS 1374655-69-2 3-BroMo-4-ethyl-5-fluoropyridine molecular structure lightbox
CAS RN: 1374655-69-2

3-BroMo-4-ethyl-5-fluoropyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1374655-69-2
  • Purity/Analytical Methods: >99.0%
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1374655-69-2 / 3-bromo-4-ethyl-5-fluoropyridine

Standard CAS: 1374655-69-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1374655-69-2
Multi CAS
No
Molecular Formula
C7H7BrFN
Molecular Weight
204.040000
Exact Mass
202.974590
SMILES
CCC1=C(C=NC=C1F)Br
InChI
InChI=1S/C7H7BrFN/c1-2-5-6(8)3-10-4-7(5)9/h3-4H,2H2,1H3
InChIKey
PJVGIIITJQCCRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.27
TPSA
12.89

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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