2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid

C12H6BrF2NO2 — CID 83235231

IUPAC2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C12H6BrF2NO2/c13-11-4-6(12(17)18)3-10(16-11)8-5-7(14)1-2-9(8)15/h1-5H,(H,17,18)
InChIKeyOMQYLVRHQJKOBM-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.49
Rot. Bonds2

About 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid

2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid (PubChem CID 83235231) has the molecular formula C12H6BrF2NO2 and a molecular weight of 314.09 g/mol. Its IUPAC name is 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid
PubChem CID83235231
Molecular FormulaC12H6BrF2NO2
Molecular Weight314.09 g/mol
Exact Mass312.95
IUPAC Name2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C12H6BrF2NO2/c13-11-4-6(12(17)18)3-10(16-11)8-5-7(14)1-2-9(8)15/h1-5H,(H,17,18)
InChIKeyOMQYLVRHQJKOBM-UHFFFAOYSA-N
XLogP3.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid (CID 83235231) is 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Br)nc(-c2cc(F)ccc2F)c1.
What is the InChIKey of 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is OMQYLVRHQJKOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2NO2/c13-11-4-6(12(17)18)3-10(16-11)8-5-7(14)1-2-9(8)15/h1-5H,(H,17,18).
What are the key properties of 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid?
2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid has a molecular weight of 314.09 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 83235231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).