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CAS 1256792-51-4 5-Hydroxy-4-methyl-pyridine-2-carbonitrile molecular structure lightbox
CAS RN: 1256792-51-4

5-Hydroxy-4-methyl-pyridine-2-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1256792-51-4
  • Purity/Analytical Methods: >99.0%
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1256792-51-4 / 5-hydroxy-4-methylpyridine-2-carbonitrile

Standard CAS: 1256792-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256792-51-4
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
CC1=CC(=NC=C1O)C#N
InChI
InChI=1S/C7H6N2O/c1-5-2-6(3-8)9-4-7(5)10/h2,4,10H,1H3
InChIKey
XGFLGLPWVNDWNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.35
TPSA
56.91

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.9
Consensus LogP
0.9
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-2.85

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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