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CAS 1935891-49-8 2-Amino-5-bromo-6-methoxynicotinic Acid molecular structure lightbox
CAS RN: 1935891-49-8

2-Amino-5-bromo-6-methoxynicotinic Acid

  • Product code: SSC-091209
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1935891-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1935891-49-8 / 2-amino-5-bromo-6-methoxypyridine-3-carboxylic acid

Standard CAS: 1935891-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935891-49-8
Multi CAS
No
Molecular Formula
C7H7BrN2O3
Molecular Weight
247.050000
Exact Mass
245.964000
SMILES
COC1=C(C=C(C(=N1)N)C(=O)O)Br
InChI
InChI=1S/C7H7BrN2O3/c1-13-6-4(8)2-3(7(11)12)5(9)10-6/h2H,1H3,(H2,9,10)(H,11,12)
InChIKey
WZJLNCJISKSABO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.86
TPSA
85.44

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.6
Consensus LogP
1.24
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

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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