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CAS 1211529-34-8 4-BroMo-5-chloro-2-Methylpyridine molecular structure lightbox
CAS RN: 1211529-34-8

4-BroMo-5-chloro-2-Methylpyridine

  • Product code: SSC-022639
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • 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 1211529-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1211529-34-8 / 4-bromo-5-chloro-2-methylpyridine

4-BROMO-5-CHLORO-2-METHYLPYRIDINE | RefChem:520103 | 968-768-8

Standard CAS: 1211529-34-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211529-34-8
Multi CAS
No
Molecular Formula
C6H5BrClN
Molecular Weight
206.470000
Exact Mass
204.929390
SMILES
CC1=CC(=C(C=N1)Cl)Br
InChI
InChI=1S/C6H5BrClN/c1-4-2-5(7)6(8)3-9-4/h2-3H,1H3
InChIKey
HNVMDSYZOIIFLJ-UHFFFAOYSA-N
Synonyms
4-BROMO-5-CHLORO-2-METHYLPYRIDINE RefChem:520103 968-768-8 MFCD17014484 SCHEMBL6841915

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
41.68
TPSA
12.89

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-1.99

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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