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CAS 1093879-76-5 2-(6-bromopyridin-2-yl)-2-methylpropanenitrile molecular structure lightbox
CAS RN: 1093879-76-5

2-(6-bromopyridin-2-yl)-2-methylpropanenitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-010673
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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 1093879-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1093879-76-5 / 2-(6-bromo-2-pyridinyl)-2-methylpropanenitrile

2-(6-bromopyridin-2-yl)-2-methylpropanenitrile | MFCD22628115 | 2-(6-Bromo-pyridin-2-yl)-2-methyl-propionitrile

Standard CAS: 1093879-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093879-76-5
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC(C)(C#N)C1=NC(=CC=C1)Br
InChI
InChI=1S/C9H9BrN2/c1-9(2,6-11)7-4-3-5-8(10)12-7/h3-5H,1-2H3
InChIKey
QBASSRFWCWKBLN-UHFFFAOYSA-N
Synonyms
2-(6-bromopyridin-2-yl)-2-methylpropanenitrile MFCD22628115 2-(6-Bromo-pyridin-2-yl)-2-methyl-propionitrile 2-(6-Bromo-2-pyridyl)-2-methyl-propanenitrile 2-(6-Bromopyridin-2-yl)-2-methylpropionitrile

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.58
TPSA
36.68

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.49
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.21

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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