CAS RN: 1133961-30-4
2-Chloro-6-iodo-3-Methyl-pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1133961-30-4
- Purity/Analytical Methods: >99.0%
1133961-30-4 / 2-chloro-6-iodo-3-methylpyridine
2-chloro-6-iodo-3-methylpyridine | 2-Chloro-6-iodo-3-methyl-pyridine | MFCD28666748
Basic Information
CAS
1133961-30-4
Multi CAS
No
Molecular Formula
C6H5ClIN
Molecular Weight
253.470000
Exact Mass
252.915520
SMILES
CC1=C(N=C(C=C1)I)Cl
InChI
InChI=1S/C6H5ClIN/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3
InChIKey
XNGGASQGPFCETL-UHFFFAOYSA-N
Synonyms
2-chloro-6-iodo-3-methylpyridine
2-Chloro-6-iodo-3-methyl-pyridine
MFCD28666748
SCHEMBL2353586
XNGGASQGPFCETL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
46.7
TPSA
12.89
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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