CAS RN: 1174028-20-6
5-broMo-6-Methylpyridine-3-carbaldehyde
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1174028-20-6
- Purity/Analytical Methods: >99.0%
1174028-20-6 / 5-bromo-6-methylpyridine-3-carbaldehyde
5-Bromo-6-methyl-3-pyridinecarboxaldehyde | 5-Bromo-6-methylnicotinaldehyde | 5-bromo-6-methylpyridine-3-carbaldehyde
Basic Information
CAS
1174028-20-6
Multi CAS
No
Molecular Formula
C7H6BrNO
Molecular Weight
200.030000
Exact Mass
198.963280
SMILES
CC1=C(C=C(C=N1)C=O)Br
InChI
InChI=1S/C7H6BrNO/c1-5-7(8)2-6(4-10)3-9-5/h2-4H,1H3
InChIKey
YOKBWADWPYRVJS-UHFFFAOYSA-N
Synonyms
5-Bromo-6-methyl-3-pyridinecarboxaldehyde
5-Bromo-6-methylnicotinaldehyde
5-bromo-6-methylpyridine-3-carbaldehyde
3-Pyridinecarboxaldehyde, 5-bromo-6-methyl-
5-bromo-6-methyl-3-pyridinecarbaldehyde
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.06
TPSA
29.96
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.4
Consensus LogP
1.7
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.55
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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