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CAS 62020-02-4 4-NITROPYRIDINE-2-CARBOXAMIDE molecular structure lightbox
CAS RN: 62020-02-4

4-NITROPYRIDINE-2-CARBOXAMIDE

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 5g Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS62020-02-4
  • Purity/Analytical Methods: >99.0%
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62020-02-4 / 4-nitropyridine-2-carboxamide

Standard CAS: 62020-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62020-02-4
Multi CAS
No
Molecular Formula
C6H5N3O3
Molecular Weight
167.120000
Exact Mass
167.033091
InChI
InChI=1S/C6H5N3O3/c7-6(10)5-3-4(9(11)12)1-2-8-5/h1-3H,(H2,7,10)
InChIKey
YHXZXPVYNDFMEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.41
TPSA
99.12

LogP / Solubility

WLOGP
0.09
MLOGP
0.07
XLogP3
-0.1
Consensus LogP
0.02
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.68

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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