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CAS 1346541-61-4 5-BROMO-2-METHYLPYRIDINE-3-CARBOXAMIDE molecular structure lightbox
CAS RN: 1346541-61-4

5-BROMO-2-METHYLPYRIDINE-3-CARBOXAMIDE

  • Product code: SSC-042517
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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 1346541-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1346541-61-4 / 5-bromo-2-methylpyridine-3-carboxamide

Standard CAS: 1346541-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346541-61-4
Multi CAS
No
Molecular Formula
C7H7BrN2O
Molecular Weight
215.050000
Exact Mass
213.974180
SMILES
CC1=C(C=C(C=N1)Br)C(=O)N
InChI
InChI=1S/C7H7BrN2O/c1-4-6(7(9)11)2-5(8)3-10-4/h2-3H,1H3,(H2,9,11)
InChIKey
SGZMKLMFJKEYOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.19
TPSA
55.98

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.05
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.14

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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