2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid

C6H5F3N2O2 — CID 118903348

IUPAC2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)N=CC=CN1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5(4(12)13)10-2-1-3-11-5/h1-3,10H,(H,12,13)
InChIKeyOLIMQRWLPHQWNH-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.52
Rot. Bonds1

About 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid

2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid (PubChem CID 118903348) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid
PubChem CID118903348
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)N=CC=CN1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5(4(12)13)10-2-1-3-11-5/h1-3,10H,(H,12,13)
InChIKeyOLIMQRWLPHQWNH-UHFFFAOYSA-N
XLogP0.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid (CID 118903348) is 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid is O=C(O)C1(C(F)(F)F)N=CC=CN1.
What is the InChIKey of 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid?
The InChIKey is OLIMQRWLPHQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)5(4(12)13)10-2-1-3-11-5/h1-3,10H,(H,12,13).
What are the key properties of 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid?
2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid has a molecular weight of 194.11 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 118903348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).