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CAS 500305-98-6 2-Pyridinemethanamine,3-chloro-(9CI) molecular structure lightbox
CAS RN: 500305-98-6

2-Pyridinemethanamine,3-chloro-(9CI)

  • Product code: SSC-156345
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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 500305-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

500305-98-6 / 3-chloro-N-methylpyridin-2-amine

Standard CAS: 500305-98-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500305-98-6
Multi CAS
Yes
Molecular Formula
C6H7CLN2
Molecular Weight
142.580000
Exact Mass
142.029776
InChI
InChI=1S/C6H7ClN2/c7-5-2-1-3-9-6(5)4-8/h1-3H,4,8H2
InChIKey
QPRZPKGMUJBNPY-UHFFFAOYSA-N

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
38.79
TPSA
24.92

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.33

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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