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CAS 188637-69-6 2-BROMO-6-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 188637-69-6

2-BROMO-6-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250709 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS188637-69-6
  • Purity/Analytical Methods: >99.0%
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188637-69-6 / 2-bromo-6-(chloromethyl)pyridine;hydrochloride

Standard CAS: 188637-69-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188637-69-6
Multi CAS
No
Molecular Formula
C6H6BrCl2N
Molecular Weight
242.930000
Exact Mass
240.906070
SMILES
C1=CC(=NC(=C1)Br)CCl.Cl
InChI
InChI=1S/C6H5BrClN.ClH/c7-6-3-1-2-5(4-8)9-6;/h1-3H,4H2;1H
InChIKey
YUADUYQBMVFPNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.74
TPSA
12.89

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.07

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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