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CAS 1142195-02-5 4-Bromo-2-(pyridin-2-yl)pyrimidine molecular structure lightbox
CAS RN: 1142195-02-5

4-Bromo-2-(pyridin-2-yl)pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1142195-02-5
  • Purity/Analytical Methods: >99.0%
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1142195-02-5 / 4-bromo-2-pyridin-2-ylpyrimidine

4-Bromo-2-(pyridin-2-yl)pyrimidine | 4-bromo-2-pyridin-2-ylpyrimidine | MFCD11869679

Standard CAS: 1142195-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1142195-02-5
Multi CAS
Yes
Molecular Formula
C9H6BrN3
Molecular Weight
236.070000
Exact Mass
234.974510
SMILES
C1=CC=NC(=C1)C2=NC=CC(=N2)Br
InChI
InChI=1S/C9H6BrN3/c10-8-4-6-12-9(13-8)7-3-1-2-5-11-7/h1-6H
InChIKey
WQINVZKQEPMVLU-UHFFFAOYSA-N
Synonyms
4-Bromo-2-(pyridin-2-yl)pyrimidine 4-bromo-2-pyridin-2-ylpyrimidine MFCD11869679 SCHEMBL8891318 4-bromo-2-(2-pyridyl)pyrimidine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.96
TPSA
38.67

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

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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