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

C6H2BrF3N2O2 — CID 91926883

IUPAC2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Br)nc1C(F)(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-5-11-1-2(4(13)14)3(12-5)6(8,9)10/h1H,(H,13,14)
InChIKeyPQSVNQARJULJID-UHFFFAOYSA-N
MW270.99 g/mol
LogP1.96
Rot. Bonds1

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

2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 91926883) has the molecular formula C6H2BrF3N2O2 and a molecular weight of 270.99 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID91926883
Molecular FormulaC6H2BrF3N2O2
Molecular Weight270.99 g/mol
Exact Mass269.93
IUPAC Name2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Br)nc1C(F)(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-5-11-1-2(4(13)14)3(12-5)6(8,9)10/h1H,(H,13,14)
InChIKeyPQSVNQARJULJID-UHFFFAOYSA-N
XLogP1.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-(trifluoromethyl)pyrimidine-5-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

Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate
CID 2737153
4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 3613356
2-Amino-4-methylpyrimidine-5-carboxylic acid
CID 3156772
4-Methyl-5-pyrimidinecarboxylic acid
CID 14922219
2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2780355
2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 3754696
2-Cyclopropyl-4-methylpyrimidine-5-carboxylic acid
CID 22308493
2,4-Dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 826981
2-(Methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 6624680
4-(trifluoromethyl)pyrimidine-5-carboxylic Acid
CID 11608075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 91926883) is 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(Br)nc1C(F)(F)F.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is PQSVNQARJULJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2/c7-5-11-1-2(4(13)14)3(12-5)6(8,9)10/h1H,(H,13,14).
What are the key properties of 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 270.99 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91926883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).