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CAS 1121586-37-5 3-amino-4-bromo-2,6-dichloropyridine molecular structure lightbox
CAS RN: 1121586-37-5

3-amino-4-bromo-2,6-dichloropyridine

  • Product code: SSC-012630
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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: 5g
  • 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 1121586-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1121586-37-5 / 4-bromo-2,6-dichloropyridin-3-amine

4-Bromo-2,6-dichloropyridin-3-amine | 3-AMINO-4-BROMO-2,6-DICHLOROPYRIDINE | 4-Bromo-2,6-dichloro-3-pyridinamine

Standard CAS: 1121586-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1121586-37-5
Multi CAS
No
Molecular Formula
C5H3BrCl2N2
Molecular Weight
241.900000
Exact Mass
239.885670
SMILES
C1=C(C(=C(N=C1Cl)Cl)N)Br
InChI
InChI=1S/C5H3BrCl2N2/c6-2-1-3(7)10-5(8)4(2)9/h1H,9H2
InChIKey
VQPYQALRCSTFHV-UHFFFAOYSA-N
Synonyms
4-Bromo-2,6-dichloropyridin-3-amine 3-AMINO-4-BROMO-2,6-DICHLOROPYRIDINE 4-Bromo-2,6-dichloro-3-pyridinamine MFCD12546348 SCHEMBL25292365

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.37
TPSA
38.91

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.8
Consensus LogP
2.65
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.26

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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