3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

C8H5BrF3NO3 — CID 135153375

IUPAC3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c1-16-6-3(8(10,11)12)2-4(9)5(13-6)7(14)15/h2H,1H3,(H,14,15)
InChIKeyTUWHINWPOKORNN-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.57
Rot. Bonds2

About 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 135153375) has the molecular formula C8H5BrF3NO3 and a molecular weight of 300.03 g/mol. Its IUPAC name is 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID135153375
Molecular FormulaC8H5BrF3NO3
Molecular Weight300.03 g/mol
Exact Mass298.94
IUPAC Name3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c1-16-6-3(8(10,11)12)2-4(9)5(13-6)7(14)15/h2H,1H3,(H,14,15)
InChIKeyTUWHINWPOKORNN-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 135153375) is 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is COc1nc(C(=O)O)c(Br)cc1C(F)(F)F.
What is the InChIKey of 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is TUWHINWPOKORNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3/c1-16-6-3(8(10,11)12)2-4(9)5(13-6)7(14)15/h2H,1H3,(H,14,15).
What are the key properties of 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 300.03 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 135153375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).