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

C12H8BrFN2O2 — CID 107923912

IUPAC2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(F)ccc2Br)ncc1C(=O)O
InChIInChI=1S/C12H8BrFN2O2/c1-6-9(12(17)18)5-15-11(16-6)8-4-7(14)2-3-10(8)13/h2-5H,1H3,(H,17,18)
InChIKeyIBNNWPBUKHQGLV-UHFFFAOYSA-N
MW311.11 g/mol
LogP3.05
Rot. Bonds2

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

2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 107923912) has the molecular formula C12H8BrFN2O2 and a molecular weight of 311.11 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID107923912
Molecular FormulaC12H8BrFN2O2
Molecular Weight311.11 g/mol
Exact Mass309.98
IUPAC Name2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(F)ccc2Br)ncc1C(=O)O
InChIInChI=1S/C12H8BrFN2O2/c1-6-9(12(17)18)5-15-11(16-6)8-4-7(14)2-3-10(8)13/h2-5H,1H3,(H,17,18)
InChIKeyIBNNWPBUKHQGLV-UHFFFAOYSA-N
XLogP3.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 107923913
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 107923916
2-(2-bromo-4-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107915347
2-(4-bromo-2-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 103083703
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107923921
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
CID 107924229
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62388782
2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 62388937

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid (CID 107923912) is 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(-c2cc(F)ccc2Br)ncc1C(=O)O.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is IBNNWPBUKHQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O2/c1-6-9(12(17)18)5-15-11(16-6)8-4-7(14)2-3-10(8)13/h2-5H,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid?
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 311.11 g/mol, XLogP of 3.05, 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)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107923912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).