2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid

C11H6BrFN2O2 — CID 107924229

IUPAC2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C11H6BrFN2O2/c12-8-2-1-6(13)5-7(8)10-14-4-3-9(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyFSEOIHFJQTWVOR-UHFFFAOYSA-N
MW297.08 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid

2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 107924229) has the molecular formula C11H6BrFN2O2 and a molecular weight of 297.08 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID107924229
Molecular FormulaC11H6BrFN2O2
Molecular Weight297.08 g/mol
Exact Mass295.96
IUPAC Name2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C11H6BrFN2O2/c12-8-2-1-6(13)5-7(8)10-14-4-3-9(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyFSEOIHFJQTWVOR-UHFFFAOYSA-N
XLogP2.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107924063
2-(2-bromo-5-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 107923913
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 107923916
2-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723356
2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938362
2-(4-methylpyrimidin-5-yl)pyrimidine-4-carboxylic acid
CID 83821602
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403
2-bromopyrimidine-4-carboxylic acid
CID 72710417

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid (CID 107924229) is 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is FSEOIHFJQTWVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O2/c12-8-2-1-6(13)5-7(8)10-14-4-3-9(15-10)11(16)17/h1-5H,(H,16,17).
What are the key properties of 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid?
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 297.08 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107924229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).