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CAS 1199773-28-8 2-Amino-3-bromo-5-chloro-4-methylpyridine molecular structure lightbox
CAS RN: 1199773-28-8

2-Amino-3-bromo-5-chloro-4-methylpyridine

  • Product code: SSC-020731
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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 1199773-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1199773-28-8 / 3-bromo-5-chloro-4-methylpyridin-2-amine

3-Bromo-5-chloro-4-methylpyridin-2-amine | 2-AMINO-3-BROMO-5-CHLORO-4-METHYLPYRIDINE | MFCD13195773

Standard CAS: 1199773-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199773-28-8
Multi CAS
No
Molecular Formula
C6H6BrClN2
Molecular Weight
221.480000
Exact Mass
219.940290
SMILES
CC1=C(C(=NC=C1Cl)N)Br
InChI
InChI=1S/C6H6BrClN2/c1-3-4(8)2-10-6(9)5(3)7/h2H,1H3,(H2,9,10)
InChIKey
OWJIALCPQCHFFZ-UHFFFAOYSA-N
Synonyms
3-Bromo-5-chloro-4-methylpyridin-2-amine 2-AMINO-3-BROMO-5-CHLORO-4-METHYLPYRIDINE MFCD13195773 2-Pyridinamine, 3-bromo-5-chloro-4-methyl- 3-bromo-5-chloro-4-methyl-pyridin-2-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.1
TPSA
38.91

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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