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CAS 1188140-52-4 4-BroMo-3-chloro-2-Methylpyridine molecular structure lightbox
CAS RN: 1188140-52-4

4-BroMo-3-chloro-2-Methylpyridine

  • Product code: SSC-018984
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1188140-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry

1188140-52-4 / 4-bromo-3-chloro-2-methylpyridine

4-Bromo-3-chloro-2-methylpyridine | 4-bromo-3-chloro-2-methyl-pyridine | MFCD11215565

Standard CAS: 1188140-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188140-52-4
Multi CAS
No
Molecular Formula
C6H5BrClN
Molecular Weight
206.470000
Exact Mass
204.929390
SMILES
CC1=NC=CC(=C1Cl)Br
InChI
InChI=1S/C6H5BrClN/c1-4-6(8)5(7)2-3-9-4/h2-3H,1H3
InChIKey
NUGJZYYBZIRDHI-UHFFFAOYSA-N
Synonyms
4-Bromo-3-chloro-2-methylpyridine 4-bromo-3-chloro-2-methyl-pyridine MFCD11215565 2-Methyl-3-chloro-4-bromopyridine bromochloropicoline

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

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