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

C12H9BrN2O2 — CID 116899778

IUPAC4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
SMILESCc1ccc(Br)cc1-c1ccnc(C(=O)O)n1
InChIInChI=1S/C12H9BrN2O2/c1-7-2-3-8(13)6-9(7)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17)
InChIKeyREADMUBIVJRLRQ-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.91
Rot. Bonds2

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

4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid (PubChem CID 116899778) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
PubChem CID116899778
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
SMILESCc1ccc(Br)cc1-c1ccnc(C(=O)O)n1
InChIInChI=1S/C12H9BrN2O2/c1-7-2-3-8(13)6-9(7)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17)
InChIKeyREADMUBIVJRLRQ-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

Analyze 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic 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

4-(2-methyl-5-propan-2-ylphenyl)pyrimidine-2-carboxylic acid
CID 116899759
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
3-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898221
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898658
2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65309309
1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902605
ethyl 2-(5-bromo-2-methylphenyl)pyrimidine-4-carboxylate
CID 112751700
2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
CID 116899938
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid (CID 116899778) is 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid is Cc1ccc(Br)cc1-c1ccnc(C(=O)O)n1.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid?
The InChIKey is READMUBIVJRLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c1-7-2-3-8(13)6-9(7)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid?
4-(5-bromo-2-methylphenyl)pyrimidine-2-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 4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116899778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).