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CAS 205744-15-6 C-(2-BROMO-PYRIDIN-3-YL)-METHYLAMINE molecular structure lightbox
CAS RN: 205744-15-6

C-(2-BROMO-PYRIDIN-3-YL)-METHYLAMINE

  • Product code: SSC-096906
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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 205744-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

205744-15-6 / (2-bromo-3-pyridinyl)methanamine

Standard CAS: 205744-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205744-15-6
Multi CAS
No
Molecular Formula
C6H7BrN2
Molecular Weight
187.040000
Exact Mass
185.979260
SMILES
C1=CC(=C(N=C1)Br)CN
InChI
InChI=1S/C6H7BrN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2
InChIKey
NQCCXGCXCFAFGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.83
TPSA
38.91

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
0.7
Consensus LogP
1.05
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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