2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid

C12H9BrN2O2 — CID 62745549

IUPAC2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H9BrN2O2/c1-7-6-10(12(16)17)15-11(14-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,16,17)
InChIKeySBYTUOLMYMMWCC-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid

2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 62745549) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID62745549
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H9BrN2O2/c1-7-6-10(12(16)17)15-11(14-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,16,17)
InChIKeySBYTUOLMYMMWCC-UHFFFAOYSA-N
XLogP2.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62746248
2-(3-bromo-4-fluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 82802424
2-(3,4-dihydroxyphenyl)-6-methylpyrimidine-4-carboxylic acid
CID 136889419
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 62746772
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554951
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250495
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
CID 104807222
methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
CID 102184443
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid (CID 62745549) is 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is SBYTUOLMYMMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c1-7-6-10(12(16)17)15-11(14-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid?
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 293.12 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62745549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).