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

C11H5BrF2N2O2 — CID 66652334

IUPAC5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2c(F)cccc2F)ncc1Br
InChIInChI=1S/C11H5BrF2N2O2/c12-5-4-15-10(16-9(5)11(17)18)8-6(13)2-1-3-7(8)14/h1-4H,(H,17,18)
InChIKeyIISWTCWEZOGKRD-UHFFFAOYSA-N
MW315.07 g/mol
LogP2.88
Rot. Bonds2

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

5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 66652334) has the molecular formula C11H5BrF2N2O2 and a molecular weight of 315.07 g/mol. Its IUPAC name is 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID66652334
Molecular FormulaC11H5BrF2N2O2
Molecular Weight315.07 g/mol
Exact Mass313.95
IUPAC Name5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2c(F)cccc2F)ncc1Br
InChIInChI=1S/C11H5BrF2N2O2/c12-5-4-15-10(16-9(5)11(17)18)8-6(13)2-1-3-7(8)14/h1-4H,(H,17,18)
InChIKeyIISWTCWEZOGKRD-UHFFFAOYSA-N
XLogP2.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid (CID 66652334) is 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2c(F)cccc2F)ncc1Br.
What is the InChIKey of 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is IISWTCWEZOGKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2N2O2/c12-5-4-15-10(16-9(5)11(17)18)8-6(13)2-1-3-7(8)14/h1-4H,(H,17,18).
What are the key properties of 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 315.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 66652334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).