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CAS 29745-44-6 2-PYRIDINECARBOXYLICACID CHLORIDE molecular structure lightbox
CAS RN: 29745-44-6

2-PYRIDINECARBOXYLICACID CHLORIDE

  • Product code: SSC-132903
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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: 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 29745-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

29745-44-6 / pyridine-2-carbonyl chloride

Standard CAS: 29745-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29745-44-6
Multi CAS
Yes
Molecular Formula
C6H4CLNO
Molecular Weight
141.550000
Exact Mass
140.998141
InChI
InChI=1S/C6H4ClNO/c7-6(9)5-3-1-2-4-8-5/h1-4H
InChIKey
PSAYJRPASWETSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.42
TPSA
29.96

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.8
Consensus LogP
1.51
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.55

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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