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CAS 1204231-59-3 5-broMo-2-chloro-4-Methylpyridin-3-aMine molecular structure lightbox
CAS RN: 1204231-59-3

5-broMo-2-chloro-4-Methylpyridin-3-aMine

  • Product code: SSC-021393
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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 1204231-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1204231-59-3 / 5-bromo-2-chloro-4-methylpyridin-3-amine

5-Bromo-2-chloro-4-methylpyridin-3-amine | MFCD16170477 | 5-bromo-2-chloro-4-methyl-pyridin-3-amine

Standard CAS: 1204231-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204231-59-3
Multi CAS
No
Molecular Formula
C6H6BrClN2
Molecular Weight
221.480000
Exact Mass
219.940290
SMILES
CC1=C(C(=NC=C1Br)Cl)N
InChI
InChI=1S/C6H6BrClN2/c1-3-4(7)2-10-6(8)5(3)9/h2H,9H2,1H3
InChIKey
ITPSFLLGFGUUQH-UHFFFAOYSA-N
Synonyms
5-Bromo-2-chloro-4-methylpyridin-3-amine MFCD16170477 5-bromo-2-chloro-4-methyl-pyridin-3-amine 5-Bromo-2-chloro-4-methyl-3-pyridinamine SCHEMBL16913805

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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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