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CAS 1000537-08-5 2-(5-Fluoro-pyridin-3-yl)-ethylaMine molecular structure lightbox
CAS RN: 1000537-08-5

2-(5-Fluoro-pyridin-3-yl)-ethylaMine

  • Product code: SSC-000237
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1000537-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1000537-08-5 / 2-(5-fluoro-3-pyridinyl)ethanamine

1000537-08-5 | 2-(5-FLUOROPYRIDIN-3-YL)ETHANAMINE | 2-(5-FLUORO-PYRIDIN-3-YL)-ETHYLAMINE

Standard CAS: 1000537-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000537-08-5
Multi CAS
No
Molecular Formula
C7H9FN2
Molecular Weight
140.160000
Exact Mass
140.074976
SMILES
C1=C(C=NC=C1F)CCN
InChI
InChI=1S/C7H9FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1-2,9H2
InChIKey
KYEMPLCYHAFSAY-UHFFFAOYSA-N
Synonyms
1000537-08-5 2-(5-FLUOROPYRIDIN-3-YL)ETHANAMINE 2-(5-FLUORO-PYRIDIN-3-YL)-ETHYLAMINE 2-(5-FLUOROPYRIDIN-3-YL)ETHAN-1-AMINE MFCD09924497

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.95
TPSA
38.91

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.06

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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