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CAS 252056-70-5 5-Amino-3-methylpyridine-2-carbonitrile molecular structure lightbox
CAS RN: 252056-70-5

5-Amino-3-methylpyridine-2-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS252056-70-5
  • Purity/Analytical Methods: >99.0%
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252056-70-5 / 5-amino-3-methylpyridine-2-carbonitrile

Standard CAS: 252056-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252056-70-5
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
CC1=CC(=CN=C1C#N)N
InChI
InChI=1S/C7H7N3/c1-5-2-6(9)4-10-7(5)3-8/h2,4H,9H2,1H3
InChIKey
MXGVUDGLKVQZPB-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
38.1
TPSA
62.7

LogP / Solubility

WLOGP
0.84
MLOGP
0.73
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.93

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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