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CAS 1049706-73-1 3-Bromo-2-chloro-4-methyl-5-nitropyridine molecular structure lightbox
CAS RN: 1049706-73-1

3-Bromo-2-chloro-4-methyl-5-nitropyridine

  • Product code: SSC-006708
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1049706-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
0.1g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Beijing Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

1049706-73-1 / 3-bromo-2-chloro-4-methyl-5-nitropyridine

3-bromo-2-chloro-4-methyl-5-nitropyridine | DTXSID80653952 | RefChem:93112

Standard CAS: 1049706-73-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1049706-73-1
Multi CAS
No
Molecular Formula
C6H4BrClN2O2
Molecular Weight
251.460000
Exact Mass
249.914470
SMILES
CC1=C(C(=NC=C1[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C6H4BrClN2O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3
InChIKey
QGEFBUJRBVNTFX-UHFFFAOYSA-N
Synonyms
3-bromo-2-chloro-4-methyl-5-nitropyridine DTXSID80653952 RefChem:93112 DTXCID80604702 871-578-7

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.34
TPSA
56.03

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
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

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