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CAS 15931-21-2 2-Picoline,4-amino-3-fluoro-(8CI) molecular structure lightbox
CAS RN: 15931-21-2

2-Picoline,4-amino-3-fluoro-(8CI)

  • Product code: SSC-067315
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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: >97%
  • 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 15931-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

15931-21-2 / 3-fluoro-2-methylpyridin-4-amine

Standard CAS: 15931-21-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15931-21-2
Multi CAS
No
Molecular Formula
C6H7FN2
Molecular Weight
126.130000
Exact Mass
126.059326
SMILES
CC1=NC=CC(=C1F)N
InChI
InChI=1S/C6H7FN2/c1-4-6(7)5(8)2-3-9-4/h2-3H,1H3,(H2,8,9)
InChIKey
AMEVGKIMLLNYRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.34
TPSA
38.91

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
0.7
Consensus LogP
0.93
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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