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CAS 1142188-71-3 5-Bromo-2-chloro-4-methyl-nicotinonitrile molecular structure lightbox
CAS RN: 1142188-71-3

5-Bromo-2-chloro-4-methyl-nicotinonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014077
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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 1142188-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1142188-71-3 / 6-bromo-2-chloro-4-methylpyridine-3-carbonitrile

5-BROMO-2-CHLORO-4-METHYLNICOTINONITRILE | SCHEMBL3830239 | G66604

Standard CAS: 1142188-71-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1142188-71-3
Multi CAS
Yes
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
CC1=CC(=NC(=C1C#N)Cl)Br
InChI
InChI=1S/C7H4BrClN2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3
InChIKey
JNGGSPALBNEMQL-UHFFFAOYSA-N
Synonyms
5-BROMO-2-CHLORO-4-METHYLNICOTINONITRILE SCHEMBL3830239 G66604 5-bromo-2-chloro-4-methyl-pyridine-3-carbonitrile

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
46.4
TPSA
36.68

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.9
Consensus LogP
2.65
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.23

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

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