1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H10F3N3O2 — CID 63710884

IUPAC1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(c2ccncn2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9(8(17)18)2-4-16(5-9)7-1-3-14-6-15-7/h1,3,6H,2,4-5H2,(H,17,18)
InChIKeyYNFWYAJGAZPTAW-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.32
Rot. Bonds2

About 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710884) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710884
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(c2ccncn2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9(8(17)18)2-4-16(5-9)7-1-3-14-6-15-7/h1,3,6H,2,4-5H2,(H,17,18)
InChIKeyYNFWYAJGAZPTAW-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710884) is 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(c2ccncn2)C1.
What is the InChIKey of 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YNFWYAJGAZPTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)9(8(17)18)2-4-16(5-9)7-1-3-14-6-15-7/h1,3,6H,2,4-5H2,(H,17,18).
What are the key properties of 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).