CAS RN: 1114809-24-3
5-BROMO-3-METHYLPYRIDINE-2-CARBONYL CHLORIDE
- Product code: SSC-012186
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1114809-24-3 / 5-bromo-3-methylpyridine-2-carbonyl chloride
5-BROMO-3-METHYLPYRIDINE-2-CARBONYL CHLORIDE | 5-Bromo-3-methylpicolinoyl chloride | MFCD11520669
Basic Information
CAS
1114809-24-3
Multi CAS
No
Molecular Formula
C7H5BrClNO
Molecular Weight
234.480000
Exact Mass
232.924300
SMILES
CC1=CC(=CN=C1C(=O)Cl)Br
InChI
InChI=1S/C7H5BrClNO/c1-4-2-5(8)3-10-6(4)7(9)11/h2-3H,1H3
InChIKey
GYRYAHIYDINTAL-UHFFFAOYSA-N
Synonyms
5-BROMO-3-METHYLPYRIDINE-2-CARBONYL CHLORIDE
5-Bromo-3-methylpicolinoyl chloride
MFCD11520669
5-bromo-3-methyl-pyridine-2-carbonyl chloride
SCHEMBL17224926
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.86
TPSA
29.96
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.8
Consensus LogP
2.52
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.35
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
Customers Also Viewed
-
![CAS 1114822-42-2 4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
- CAS RN: 1114822-42-2
- Product Code: SSC-012187
-
3-(3-aminophenyl)-1-methyl-2,4-imidazolidinedione(SALTDATA: FREE)
- CAS RN: 1114824-11-1
- Product Code: SSC-012188
-
Methyl 3-Methylazetidine-3-carboxylate hydrochloride
- CAS RN: 1114876-08-2
- Product Code: SSC-012192
-
25-Anhydroalisol F
- CAS RN: 1114895-01-0
- Product Code: starshine_CAS1114895-01-0
- Purity/Analytical method: >99.0%
-
(3aS,6aS)-5-Ethoxycarbonyl-1H-hexahydropyrrolo[3,4-b]pyrrole
- CAS RN: 1114985-14-6
- Product Code: SSC-012196
-
IAXO-102
- CAS RN: 1115270-63-7
- Product Code: starshine_CAS1115270-63-7
- Purity/Analytical method: >99.0%
![CAS 1114822-42-2 4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1114822-42-2.gif)
![CAS 1114985-14-6 (3aS,6aS)-5-Ethoxycarbonyl-1H-hexahydropyrrolo[3,4-b]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1114985-14-6.gif)
