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CAS 113975-23-8 3-Iodo-2-(methylamino)pyridine molecular structure lightbox
CAS RN: 113975-23-8

3-Iodo-2-(methylamino)pyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS113975-23-8
  • Purity/Analytical Methods: >99.0%
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113975-23-8 / 3-iodo-N-methylpyridin-2-amine

3-iodo-N-methylpyridin-2-amine | DTXSID00554997 | RefChem:280088

Standard CAS: 113975-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113975-23-8
Multi CAS
No
Molecular Formula
C6H7IN2
Molecular Weight
234.040000
Exact Mass
233.965400
SMILES
CNC1=C(C=CC=N1)I
InChI
InChI=1S/C6H7IN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)
InChIKey
MVFOZPUJBFFGFO-UHFFFAOYSA-N
Synonyms
3-iodo-N-methylpyridin-2-amine DTXSID00554997 RefChem:280088 DTXCID80505780 3-Iodo-2-(methylamino)pyridine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.5
TPSA
24.92

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.92

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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