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CAS 1188023-70-2 3-BROMO-4-CHLORO-2-METHYLPYRIDINE molecular structure lightbox
CAS RN: 1188023-70-2

3-BROMO-4-CHLORO-2-METHYLPYRIDINE

  • Product code: SSC-018911
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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
  • 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 1188023-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

1188023-70-2 / 3-bromo-4-chloro-2-methylpyridine

3-bromo-4-chloro-2-methylpyridine | MFCD11215567 | SCHEMBL6484537

Standard CAS: 1188023-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188023-70-2
Multi CAS
No
Molecular Formula
C6H5BrClN
Molecular Weight
206.470000
Exact Mass
204.929390
SMILES
CC1=NC=CC(=C1Br)Cl
InChI
InChI=1S/C6H5BrClN/c1-4-6(7)5(8)2-3-9-4/h2-3H,1H3
InChIKey
MVOLARAAJFTTCC-UHFFFAOYSA-N
Synonyms
3-bromo-4-chloro-2-methylpyridine MFCD11215567 SCHEMBL6484537 SCHEMBL30624505 3-bromo-4-chloro-2-methyl-pyridine

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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