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CAS 1187385-95-0 5-Bromo-4-methyl-2-(1-pyrrolidinyl)pyridine molecular structure lightbox
CAS RN: 1187385-95-0

5-Bromo-4-methyl-2-(1-pyrrolidinyl)pyridine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1187385-95-0
  • Purity/Analytical Methods: >99.0%
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1187385-95-0 / 5-bromo-4-methyl-2-pyrrolidin-1-ylpyridine

5-BROMO-4-METHYL-2-(PYRROLIDIN-1-YL)PYRIDINE | 5-Bromo-4-methyl-2-(1-pyrrolidinyl)pyridine | MFCD12546611

Standard CAS: 1187385-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187385-95-0
Multi CAS
No
Molecular Formula
C10H13BrN2
Molecular Weight
241.130000
Exact Mass
240.026210
SMILES
CC1=CC(=NC=C1Br)N2CCCC2
InChI
InChI=1S/C10H13BrN2/c1-8-6-10(12-7-9(8)11)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKey
HSMOVVXVWDKSDQ-UHFFFAOYSA-N
Synonyms
5-BROMO-4-METHYL-2-(PYRROLIDIN-1-YL)PYRIDINE 5-Bromo-4-methyl-2-(1-pyrrolidinyl)pyridine MFCD12546611 5-bromo-4-methyl-2-pyrrolidin-1-ylpyridine DTXSID00675297

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.12
TPSA
16.13

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.9
Consensus LogP
2.69
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.24

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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