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CAS 134531-63-8 6-oxo-1,6-dihydropyridine-3-carboxylic acid hydrazide molecular structure lightbox
CAS RN: 134531-63-8

6-oxo-1,6-dihydropyridine-3-carboxylic acid hydrazide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS134531-63-8
  • Purity/Analytical Methods: >99.0%
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134531-63-8 / 6-oxo-1H-pyridine-3-carbohydrazide

Standard CAS: 134531-63-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134531-63-8
Multi CAS
No
Molecular Formula
C6H7N3O2
Molecular Weight
153.140000
Exact Mass
153.053826
SMILES
C1=CC(=O)NC=C1C(=O)NN
InChI
InChI=1S/C6H7N3O2/c7-9-6(11)4-1-2-5(10)8-3-4/h1-3H,7H2,(H,8,10)(H,9,11)
InChIKey
CWZHFIGWRBBYJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.72
TPSA
87.98

LogP / Solubility

WLOGP
-1.02
MLOGP
-0.9
XLogP3
-1.5
Consensus LogP
-1.14
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.07
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.38

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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