CAS RN: 885951-67-7
6-(broMoMethyl)picolinic acid
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.20260501 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926419
885951-67-7 / 6-(bromomethyl)pyridine-2-carboxylic acid
Basic Information
CAS
885951-67-7
Multi CAS
No
Molecular Formula
BC7H6O2Rn
Molecular Weight
216.030000
Exact Mass
214.958190
InChI
InChI=1S/C7H6BrNO2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4H2,(H,10,11)
InChIKey
YLHLANHPBJQXGA-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
2
H-bond donors
1
Molar refractivity
43.83
TPSA
50.19
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.3
Consensus LogP
1.48
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.85
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 1824024-00-1 tert-Butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate
- CAS RN: 1824024-00-1
- Product Code: SSC-084107
-
6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
- CAS RN: 32263-70-0
- Product Code: SSC-137821
-
6-Amino-3-methyl-1-phenyl-4-(p-tolyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- CAS RN: 53316-59-9
- Product Code: LINA889062
-
6-Amino-3-methyl-4-(4-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- CAS RN: 76973-34-7
- Product Code: LINA889082
-
-
6-amino-5-iodo-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxylic acid
- CAS RN: 1345179-18-1
- Product Code: LINA927047
![CAS 1824024-00-1 tert-Butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1824024-00-1.png)
![CAS 53316-59-9 6-Amino-3-methyl-1-phenyl-4-(p-tolyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/53316-59-9.png)
![CAS 76973-34-7 6-Amino-3-methyl-4-(4-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/76973-34-7.png)
![CAS 1345179-18-1 6-amino-5-iodo-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1345179-18-1.png)