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CAS 180994-87-0 2-Amino-5-bromo-4-methylpyridine-3-carbonitrile molecular structure lightbox
CAS RN: 180994-87-0

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-082272
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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 180994-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

180994-87-0 / 2-amino-5-bromo-4-methylpyridine-3-carbonitrile

Standard CAS: 180994-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180994-87-0
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CC1=C(C(=NC=C1Br)N)C#N
InChI
InChI=1S/C7H6BrN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)
InChIKey
MRSKAISFGNZSIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.8
TPSA
62.7

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.87

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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