CAS RN: 53995-62-3
2-Pyridinecarboxylic acid, 2-(2-pyridinyl)hydrazide
Product Availability
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5 package records3 with current stock3 grade groups
- Product code: starshine_CAS53995-62-3
- Purity/Analytical Methods: >99.0%
53995-62-3 / N'-pyridin-2-ylpyridine-2-carbohydrazide
Basic Information
CAS
53995-62-3
Multi CAS
No
Molecular Formula
C11H10N4O
Molecular Weight
214.220000
Exact Mass
214.085461
InChI
InChI=1S/C11H10N4O/c16-11(9-5-1-3-7-12-9)15-14-10-6-2-4-8-13-10/h1-8H,(H,13,14)(H,15,16)
InChIKey
GCZPXNWBXDWHKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.56
TPSA
66.91
LogP / Solubility
WLOGP
1.23
MLOGP
1.09
XLogP3
1.6
Consensus LogP
1.31
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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