[email protected]
CAS 1031929-01-7 3-BROMO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 1031929-01-7

3-BROMO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE

  • Product code: SSC-004616
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1031929-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1031929-01-7 / 3-bromo-2-fluoro-5-(trifluoromethyl)pyridine

3-BROMO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE | MFCD08061304 | 2-Fluoro-3-bromo-5-trifluoromethylpyridine

Standard CAS: 1031929-01-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1031929-01-7
Multi CAS
Yes
Molecular Formula
C6H2BrF4N
Molecular Weight
243.980000
Exact Mass
242.930670
SMILES
C1=C(C=NC(=C1Br)F)C(F)(F)F
InChI
InChI=1S/C6H2BrF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey
HKACHYLUXHBYMO-UHFFFAOYSA-N
Synonyms
3-BROMO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE MFCD08061304 2-Fluoro-3-bromo-5-trifluoromethylpyridine SCHEMBL1336778 SCHEMBL31153021

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
36.9
TPSA
12.89

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.08

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

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us