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CAS 64169-92-2 1,6-dihydro-4-hydroxy-2-methyl-6-oxonicotinonitrile molecular structure lightbox
CAS RN: 64169-92-2

1,6-dihydro-4-hydroxy-2-methyl-6-oxonicotinonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64169-92-2
  • Purity/Analytical Methods: >99.0%
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64169-92-2 / 4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

Standard CAS: 64169-92-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64169-92-2
Multi CAS
Yes
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
InChI
InChI=1S/C7H6N2O2/c1-4-5(3-8)6(10)2-7(11)9-4/h2H,1H3,(H2,9,10,11)
InChIKey
OLTATMRIIFNCTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.18
TPSA
76.88

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
-0.1
Consensus LogP
0.13
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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