[email protected]
CAS 1159512-35-2 2,3-dibromo-6-triflroromethylpyridine molecular structure lightbox
CAS RN: 1159512-35-2

2,3-dibromo-6-triflroromethylpyridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 1g / 5g Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1159512-35-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1159512-35-2 / 2,3-dibromo-6-(trifluoromethyl)pyridine

2,3-Dibromo-6-(trifluoromethyl)pyridine | DTXSID10672313 | RefChem:244489

Standard CAS: 1159512-35-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159512-35-2
Multi CAS
No
Molecular Formula
C6H2Br2F3N
Molecular Weight
304.890000
Exact Mass
304.848560
SMILES
C1=CC(=NC(=C1Br)Br)C(F)(F)F
InChI
InChI=1S/C6H2Br2F3N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
InChIKey
ZNXWEXDLRUCUPC-UHFFFAOYSA-N
Synonyms
2,3-Dibromo-6-(trifluoromethyl)pyridine DTXSID10672313 RefChem:244489 DTXCID10623062 813-472-5

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
44.64
TPSA
12.89

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
3.5
Consensus LogP
3.44
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us