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CAS 114080-95-4 3-Chloropyridine-2-carboxamide molecular structure lightbox
CAS RN: 114080-95-4

3-Chloropyridine-2-carboxamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260127 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013971
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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 114080-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

114080-95-4 / 3-chloropyridine-2-carboxamide

3-CHLOROPICOLINAMIDE | 3-CHLOROPYRIDINE-2-CARBOXAMIDE | 2-Pyridinecarboxamide, 3-chloro-

Standard CAS: 114080-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
114080-95-4
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
C1=CC(=C(N=C1)C(=O)N)Cl
InChI
InChI=1S/C6H5ClN2O/c7-4-2-1-3-9-5(4)6(8)10/h1-3H,(H2,8,10)
InChIKey
HQHTWOUEFQKMAQ-UHFFFAOYSA-N
Synonyms
3-CHLOROPICOLINAMIDE 3-CHLOROPYRIDINE-2-CARBOXAMIDE 2-Pyridinecarboxamide, 3-chloro- MFCD10574691 SCHEMBL648916

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.76
TPSA
55.98

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
1.1
Consensus LogP
0.89
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.08

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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