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CAS 1211527-87-5 5-chloro-6-methoxypyridine-2-carbaldehyde molecular structure lightbox
CAS RN: 1211527-87-5

5-chloro-6-methoxypyridine-2-carbaldehyde

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Batchno.20250806 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1211527-87-5
  • Purity/Analytical Methods: >99.0%
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1211527-87-5 / 5-chloro-6-methoxypyridine-2-carbaldehyde

5-Chloro-6-methoxypicolinaldehyde | 5-chloro-6-methoxypyridine-2-carbaldehyde | SCHEMBL2416545

Standard CAS: 1211527-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211527-87-5
Multi CAS
No
Molecular Formula
C7H6ClNO2
Molecular Weight
171.580000
Exact Mass
171.008706
SMILES
COC1=C(C=CC(=N1)C=O)Cl
InChI
InChI=1S/C7H6ClNO2/c1-11-7-6(8)3-2-5(4-10)9-7/h2-4H,1H3
InChIKey
PDAALXFPGANGAU-UHFFFAOYSA-N
Synonyms
5-Chloro-6-methoxypicolinaldehyde 5-chloro-6-methoxypyridine-2-carbaldehyde SCHEMBL2416545 SCHEMBL29957151 PDAALXFPGANGAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.19
TPSA
39.19

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.6
Consensus LogP
1.51
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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