6-(trifluoromethyl)pyrimidine-4-carboxylic acid

C6H3F3N2O2 — CID 34176371

IUPAC6-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)4-1-3(5(12)13)10-2-11-4/h1-2H,(H,12,13)
InChIKeyIGXLCQPTBOJNPW-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.19
Rot. Bonds1

About 6-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 34176371) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID34176371
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name6-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)4-1-3(5(12)13)10-2-11-4/h1-2H,(H,12,13)
InChIKeyIGXLCQPTBOJNPW-UHFFFAOYSA-N
XLogP1.19
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 34176371) is 6-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)ncn1.
What is the InChIKey of 6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is IGXLCQPTBOJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)4-1-3(5(12)13)10-2-11-4/h1-2H,(H,12,13).
What are the key properties of 6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 192.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 34176371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).