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CAS 1206969-20-1 6-Chloro-5-cyanonicotinic Acid molecular structure lightbox
CAS RN: 1206969-20-1

6-Chloro-5-cyanonicotinic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-021797
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1206969-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1206969-20-1 / 6-chloro-5-cyanopyridine-3-carboxylic acid

6-Chloro-5-cyanonicotinic Acid | 6-chloro-5-cyanopyridine-3-carboxylic acid | MFCD14585457

Standard CAS: 1206969-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206969-20-1
Multi CAS
No
Molecular Formula
C7H3ClN2O2
Molecular Weight
182.560000
Exact Mass
181.988305
SMILES
C1=C(C=NC(=C1C#N)Cl)C(=O)O
InChI
InChI=1S/C7H3ClN2O2/c8-6-4(2-9)1-5(3-10-6)7(11)12/h1,3H,(H,11,12)
InChIKey
CLVFAWOSLIAOQG-UHFFFAOYSA-N
Synonyms
6-Chloro-5-cyanonicotinic Acid 6-chloro-5-cyanopyridine-3-carboxylic acid MFCD14585457 6-Chloro-5-cyanonicotinicAcid SCHEMBL27466139

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.92
TPSA
73.98

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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