1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

C10H10F3N3O2 — CID 19621499

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-4-14-9(15-7)16-5-1-2-6(16)8(17)18/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyCOIWEBIPBZBCTP-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.55
Rot. Bonds2

About 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 19621499) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID19621499
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-4-14-9(15-7)16-5-1-2-6(16)8(17)18/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyCOIWEBIPBZBCTP-UHFFFAOYSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid (CID 19621499) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is COIWEBIPBZBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-4-14-9(15-7)16-5-1-2-6(16)8(17)18/h3-4,6H,1-2,5H2,(H,17,18).
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19621499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).