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CAS 1027785-21-2 6-AMino-5-broMo-pyridine-3-carbaldehyde molecular structure lightbox
CAS RN: 1027785-21-2

6-AMino-5-broMo-pyridine-3-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1027785-21-2
  • Purity/Analytical Methods: >99.0%
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1027785-21-2 / 6-amino-5-bromopyridine-3-carbaldehyde

6-Amino-5-bromonicotinaldehyde | 6-amino-5-bromo-pyridine-3-carbaldehyde | 6-amino-5-bromopyridine-3-carbaldehyde

Standard CAS: 1027785-21-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1027785-21-2
Multi CAS
No
Molecular Formula
C6H5BrN2O
Molecular Weight
201.020000
Exact Mass
199.958530
SMILES
C1=C(C=NC(=C1Br)N)C=O
InChI
InChI=1S/C6H5BrN2O/c7-5-1-4(3-10)2-9-6(5)8/h1-3H,(H2,8,9)
InChIKey
NFRTVYCEXUQVGQ-UHFFFAOYSA-N
Synonyms
6-Amino-5-bromonicotinaldehyde 6-amino-5-bromo-pyridine-3-carbaldehyde 6-amino-5-bromopyridine-3-carbaldehyde 3-Pyridinecarboxaldehyde, 6-amino-5-bromo- MFCD16606540

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.74
TPSA
55.98

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.07

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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