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CAS 175277-69-7 1,2-Dihydro-2-oxo-4-pyridinecarboxamide molecular structure lightbox
CAS RN: 175277-69-7

1,2-Dihydro-2-oxo-4-pyridinecarboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS175277-69-7
  • Purity/Analytical Methods: >99.0%
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175277-69-7 / 2-oxo-1H-pyridine-4-carboxamide

Standard CAS: 175277-69-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175277-69-7
Multi CAS
No
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
SMILES
C1=CNC(=O)C=C1C(=O)N
InChI
InChI=1S/C6H6N2O2/c7-6(10)4-1-2-8-5(9)3-4/h1-3H,(H2,7,10)(H,8,9)
InChIKey
FHYPGGNPURXGRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.58
TPSA
75.95

LogP / Solubility

WLOGP
-0.53
MLOGP
-0.47
XLogP3
-1.2
Consensus LogP
-0.73
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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