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CAS 72087-21-9 6-(methylamino)nicotinaldehyde molecular structure lightbox
CAS RN: 72087-21-9

6-(methylamino)nicotinaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72087-21-9
  • Purity/Analytical Methods: >99.0%
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72087-21-9 / 6-(methylamino)pyridine-3-carbaldehyde

Standard CAS: 72087-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72087-21-9
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c1-8-7-3-2-6(5-10)4-9-7/h2-5H,1H3,(H,8,9)
InChIKey
JXCZNHSXCGRJGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.17
TPSA
41.99

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.6
Consensus LogP
0.79
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.89

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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