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CAS 1211515-00-2 2-BroMo-3-(difluoroMethyl)pyridine molecular structure lightbox
CAS RN: 1211515-00-2

2-BroMo-3-(difluoroMethyl)pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-022527
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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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1211515-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1211515-00-2 / 2-bromo-3-(difluoromethyl)pyridine

2-Bromo-3-(difluoromethyl)pyridine | DTXSID90717812 | RefChem:85659

Standard CAS: 1211515-00-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211515-00-2
Multi CAS
No
Molecular Formula
C6H4BrF2N
Molecular Weight
208.000000
Exact Mass
206.949520
SMILES
C1=CC(=C(N=C1)Br)C(F)F
InChI
InChI=1S/C6H4BrF2N/c7-5-4(6(8)9)2-1-3-10-5/h1-3,6H
InChIKey
RBKISNDTOFJWQZ-UHFFFAOYSA-N
Synonyms
2-Bromo-3-(difluoromethyl)pyridine DTXSID90717812 RefChem:85659 DTXCID50668558 802-568-2

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.89
TPSA
12.89

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.01

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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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