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CAS 117830-18-9 3-Pyridinecarboxylicacid,5-chloro-,hydrazide(9CI) molecular structure lightbox
CAS RN: 117830-18-9

3-Pyridinecarboxylicacid,5-chloro-,hydrazide(9CI)

  • Product code: SSC-017654
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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 117830-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117830-18-9 / 5-chloropyridine-3-carbohydrazide

5-Chloropyridine-3-carbohydrazide | DTXSID20560373 | RefChem:302678

Standard CAS: 117830-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117830-18-9
Multi CAS
No
Molecular Formula
C6H6ClN3O
Molecular Weight
171.580000
Exact Mass
171.019940
SMILES
C1=C(C=NC=C1Cl)C(=O)NN
InChI
InChI=1S/C6H6ClN3O/c7-5-1-4(2-9-3-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKey
SMUTWNZQWOJRDN-UHFFFAOYSA-N
Synonyms
5-Chloropyridine-3-carbohydrazide DTXSID20560373 RefChem:302678 DTXCID50511151 5-chloronicotinohydrazide

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
40.9
TPSA
68.01

LogP / Solubility

WLOGP
0.34
MLOGP
0.29
Consensus LogP
0.21
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.53

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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