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CAS 113124-06-4 2-BroMo-5, 6-diMethyl-pyridine-3-carbonitrile molecular structure lightbox
CAS RN: 113124-06-4

2-BroMo-5, 6-diMethyl-pyridine-3-carbonitrile

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250504 1g In stock Inquiry
Batchno.20251103 250mg In stock Inquiry
Batchno.20260601 5g In stock Inquiry
  • Product code: SSC-013312
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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 113124-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

113124-06-4 / 2-bromo-5,6-dimethylpyridine-3-carbonitrile

2-Bromo-5,6-dimethylnicotinonitrile | 2-bromo-5, 6-dimethyl-pyridine-3-carbonitrile | 2-bromo-5,6-dimethylpyridine-3-carbonitrile

Standard CAS: 113124-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113124-06-4
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=CC(=C(N=C1C)Br)C#N
InChI
InChI=1S/C8H7BrN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3
InChIKey
NBTLTCYYIULTID-UHFFFAOYSA-N
Synonyms
2-Bromo-5,6-dimethylnicotinonitrile 2-bromo-5, 6-dimethyl-pyridine-3-carbonitrile 2-bromo-5,6-dimethylpyridine-3-carbonitrile 2-BROMO-5,6-DIMETHYL-PYRIDINE-3-CARBONITRILE MFCD18157603

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
46.13
TPSA
36.68

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.35

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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