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CAS 1020253-15-9 4-Bromo-2-chloro-5-methoxypyridine molecular structure lightbox
CAS RN: 1020253-15-9

4-Bromo-2-chloro-5-methoxypyridine

  • Product code: SSC-003263
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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: ≥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 1020253-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1020253-15-9 / 4-bromo-2-chloro-5-methoxypyridine

4-BROMO-2-CHLORO-5-METHOXYPYRIDINE | MFCD09972186 | Pyridine, 4-bromo-2-chloro-5-methoxy-

Standard CAS: 1020253-15-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1020253-15-9
Multi CAS
Yes
Molecular Formula
C6H5BrClNO
Molecular Weight
222.470000
Exact Mass
220.924300
SMILES
COC1=CN=C(C=C1Br)Cl
InChI
InChI=1S/C6H5BrClNO/c1-10-5-3-9-6(8)2-4(5)7/h2-3H,1H3
InChIKey
ROFQXQOLLAPAOR-UHFFFAOYSA-N
Synonyms
4-BROMO-2-CHLORO-5-METHOXYPYRIDINE MFCD09972186 Pyridine, 4-bromo-2-chloro-5-methoxy- 4-bromo-2-chloro-5-methoxy-pyridine SCHEMBL15142030

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.5
TPSA
22.12

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.3

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] 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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