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CAS 1211532-92-1 C-(5-Fluoro-6-Methoxy-pyridin-3-yl)-MethylaMine molecular structure lightbox
CAS RN: 1211532-92-1

C-(5-Fluoro-6-Methoxy-pyridin-3-yl)-MethylaMine

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Batchno.20251218 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1211532-92-1
  • Purity/Analytical Methods: >99.0%
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1211532-92-1 / (5-fluoro-6-methoxy-3-pyridinyl)methanamine

(5-FLUORO-6-METHOXYPYRIDIN-3-YL)METHANAMINE | (5-FLUORO-6-METHOXY-3-PYRIDYL)METHANAMINE | MFCD18254443

Standard CAS: 1211532-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211532-92-1
Multi CAS
No
Molecular Formula
C7H9FN2O
Molecular Weight
156.160000
Exact Mass
156.069891
SMILES
COC1=C(C=C(C=N1)CN)F
InChI
InChI=1S/C7H9FN2O/c1-11-7-6(8)2-5(3-9)4-10-7/h2,4H,3,9H2,1H3
InChIKey
MTLXOBLQKWSCEP-UHFFFAOYSA-N
Synonyms
(5-FLUORO-6-METHOXYPYRIDIN-3-YL)METHANAMINE (5-FLUORO-6-METHOXY-3-PYRIDYL)METHANAMINE MFCD18254443 1-(5-fluoro-6-methoxypyridin-3-yl)methanamine SCHEMBL12675328

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.64
TPSA
48.14

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.18

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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