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CAS 1176424-62-6 5-broMo-N,N-diethylpyridin-2-aMine molecular structure lightbox
CAS RN: 1176424-62-6

5-broMo-N,N-diethylpyridin-2-aMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1176424-62-6
  • Purity/Analytical Methods: >99.0%
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1176424-62-6 / 5-bromo-N,N-diethylpyridin-2-amine

5-bromo-N,N-diethylpyridin-2-amine | 5-BROMO-N,N-DIETHYL-2-PYRIDINAMINE | MFCD11938559

Standard CAS: 1176424-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1176424-62-6
Multi CAS
No
Molecular Formula
C9H13BrN2
Molecular Weight
229.120000
Exact Mass
228.026210
SMILES
CCN(CC)C1=NC=C(C=C1)Br
InChI
InChI=1S/C9H13BrN2/c1-3-12(4-2)9-6-5-8(10)7-11-9/h5-7H,3-4H2,1-2H3
InChIKey
AUNKEVOLCMQTEY-UHFFFAOYSA-N
Synonyms
5-bromo-N,N-diethylpyridin-2-amine 5-BROMO-N,N-DIETHYL-2-PYRIDINAMINE MFCD11938559 3-Bromo-6-diethylaminopyridine CHEMBL1354203

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
55.5
TPSA
16.13

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.21

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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