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CAS 1211589-61-5 3-(Aminomethyl)-5-bromo-2-methylpyridine molecular structure lightbox
CAS RN: 1211589-61-5

3-(Aminomethyl)-5-bromo-2-methylpyridine

  • Product code: SSC-022872
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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
  • 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 1211589-61-5
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

1211589-61-5 / (5-bromo-2-methyl-3-pyridinyl)methanamine

3-(Aminomethyl)-5-bromo-2-methylpyridine | (5-bromo-2-methylpyridin-3-yl)methanamine | MFCD18255107

Standard CAS: 1211589-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211589-61-5
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
CC1=C(C=C(C=N1)Br)CN
InChI
InChI=1S/C7H9BrN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,3,9H2,1H3
InChIKey
DDTSJJRCDJTGPD-UHFFFAOYSA-N
Synonyms
3-(Aminomethyl)-5-bromo-2-methylpyridine (5-bromo-2-methylpyridin-3-yl)methanamine MFCD18255107 SCHEMBL2066694 AC1104

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.57
TPSA
38.91

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
0.8
Consensus LogP
1.28
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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