2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid

C13H10BrFN2O2 — CID 116899938

IUPAC2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nccc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H10BrFN2O2/c1-7(13(18)19)12-16-5-4-11(17-12)9-6-8(14)2-3-10(9)15/h2-7H,1H3,(H,18,19)
InChIKeyMWCZJKAEXYHXTF-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid

2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid (PubChem CID 116899938) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
PubChem CID116899938
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nccc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H10BrFN2O2/c1-7(13(18)19)12-16-5-4-11(17-12)9-6-8(14)2-3-10(9)15/h2-7H,1H3,(H,18,19)
InChIKeyMWCZJKAEXYHXTF-UHFFFAOYSA-N
XLogP3.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(5-bromo-2-fluorophenyl)-4-fluoropyridine
CID 102824499
3-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898221
3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116898107
4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
CID 116899778
4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
CID 84606236
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
2-[4-(2-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116903020
1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902604
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 70979559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid (CID 116899938) is 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid is CC(C(=O)O)c1nccc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid?
The InChIKey is MWCZJKAEXYHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-7(13(18)19)12-16-5-4-11(17-12)9-6-8(14)2-3-10(9)15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid?
2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid has a molecular weight of 325.14 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 116899938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).