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CAS 1052708-46-9 3-aMino-6-broMo-2-pyridinecarboxylic acid molecular structure lightbox
CAS RN: 1052708-46-9

3-aMino-6-broMo-2-pyridinecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007017
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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: ＞97%
  • 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 1052708-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1052708-46-9 / 3-amino-6-bromopyridine-2-carboxylic acid

3-Amino-6-bromopicolinic acid | 3-amino-6-bromopyridine-2-carboxylic acid | 3-Amino-6-bromo-2-pyridinecarboxylic acid

Standard CAS: 1052708-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1052708-46-9
Multi CAS
No
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.020000
Exact Mass
215.953440
SMILES
C1=CC(=NC(=C1N)C(=O)O)Br
InChI
InChI=1S/C6H5BrN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
InChIKey
HXBNYDVCPBSMTF-UHFFFAOYSA-N
Synonyms
3-Amino-6-bromopicolinic acid 3-amino-6-bromopyridine-2-carboxylic acid 3-Amino-6-bromo-2-pyridinecarboxylic acid 3-Amino-6-bromo-pyridine-2-carboxylic acid MFCD14584498

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.31
TPSA
76.21

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.6
Consensus LogP
1.24
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.25

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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