2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid

C13H10BrFN2O2 — CID 107923864

IUPAC2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(F)ccc2Br)nc(C)c1C(=O)O
InChIInChI=1S/C13H10BrFN2O2/c1-6-11(13(18)19)7(2)17-12(16-6)9-5-8(15)3-4-10(9)14/h3-5H,1-2H3,(H,18,19)
InChIKeyYMPWDXGDAULDKB-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.36
Rot. Bonds2

About 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid

2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 107923864) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID107923864
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(F)ccc2Br)nc(C)c1C(=O)O
InChIInChI=1S/C13H10BrFN2O2/c1-6-11(13(18)19)7(2)17-12(16-6)9-5-8(15)3-4-10(9)14/h3-5H,1-2H3,(H,18,19)
InChIKeyYMPWDXGDAULDKB-UHFFFAOYSA-N
XLogP3.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid (CID 107923864) is 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(-c2cc(F)ccc2Br)nc(C)c1C(=O)O.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is YMPWDXGDAULDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-6-11(13(18)19)7(2)17-12(16-6)9-5-8(15)3-4-10(9)14/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 325.14 g/mol, XLogP of 3.36, 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)-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107923864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).