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CAS 1086381-43-2 2-bromo-4-isopropylpyridine molecular structure lightbox
CAS RN: 1086381-43-2

2-bromo-4-isopropylpyridine

  • Product code: SSC-009885
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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: 0.25g, 1g, 5g
  • 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 1086381-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1086381-43-2 / 2-bromo-4-propan-2-ylpyridine

2-bromo-4-isopropylpyridine | 2-bromo-4-propan-2-ylpyridine | MFCD11223222

Standard CAS: 1086381-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086381-43-2
Multi CAS
No
Molecular Formula
C8H10BrN
Molecular Weight
200.080000
Exact Mass
198.999660
SMILES
CC(C)C1=CC(=NC=C1)Br
InChI
InChI=1S/C8H10BrN/c1-6(2)7-3-4-10-8(9)5-7/h3-6H,1-2H3
InChIKey
LEMRXPAQILDIFZ-UHFFFAOYSA-N
Synonyms
2-bromo-4-isopropylpyridine 2-bromo-4-propan-2-ylpyridine MFCD11223222 2-bromo-4-(propan-2-yl)pyridine 2-bromo-4-isopropyl-pyridine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.03
TPSA
12.89

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-1.83

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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