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CAS 1060806-62-3 6-BROMO-2-METHOXYNICOTINIC ACID molecular structure lightbox
CAS RN: 1060806-62-3

6-BROMO-2-METHOXYNICOTINIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250808 100mg / 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-007790
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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 1060806-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1060806-62-3 / 6-bromo-2-methoxypyridine-3-carboxylic acid

6-Bromo-2-methoxynicotinic acid | 6-BROMO-2-METHOXYPYRIDINE-3-CARBOXYLIC ACID | MFCD13188730

Standard CAS: 1060806-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060806-62-3
Multi CAS
No
Molecular Formula
C7H6BrNO3
Molecular Weight
232.030000
Exact Mass
230.953110
SMILES
COC1=C(C=CC(=N1)Br)C(=O)O
InChI
InChI=1S/C7H6BrNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKey
YMPQUJFCCCPCAF-UHFFFAOYSA-N
Synonyms
6-Bromo-2-methoxynicotinic acid 6-BROMO-2-METHOXYPYRIDINE-3-CARBOXYLIC ACID MFCD13188730 6-Bromo-2-methoxy-nicotinic acid 6-bromo-2-methoxy-pyridine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.45
TPSA
59.42

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.7
Consensus LogP
1.54
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.03

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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