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CAS 1060808-94-7 6-AMino-4-chloro-nicotinic acid molecular structure lightbox
CAS RN: 1060808-94-7

6-AMino-4-chloro-nicotinic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 50mg / 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007801
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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 1060808-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1060808-94-7 / 6-amino-4-chloropyridine-3-carboxylic acid

6-AMINO-4-CHLORONICOTINIC ACID | 6-AMINO-4-CHLORO-NICOTINIC ACID | MFCD13189221

Standard CAS: 1060808-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060808-94-7
Multi CAS
No
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
SMILES
C1=C(C(=CN=C1N)C(=O)O)Cl
InChI
InChI=1S/C6H5ClN2O2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKey
OXBLGNNZCHCRLC-UHFFFAOYSA-N
Synonyms
6-AMINO-4-CHLORONICOTINIC ACID 6-AMINO-4-CHLORO-NICOTINIC ACID MFCD13189221 6-AMINO-4-CHLOROPYRIDINE-3-CARBOXYLIC ACID 6-amino-4-chloro-pyridine-3-carboxylic acid

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
40.62
TPSA
76.21

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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