1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C9H10FN3O2 — CID 112703899

IUPAC1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H10FN3O2/c10-7-3-11-9(12-4-7)13-2-1-6(5-13)8(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyBRTDFXKAXCHCEI-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.53
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid

1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 112703899) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID112703899
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H10FN3O2/c10-7-3-11-9(12-4-7)13-2-1-6(5-13)8(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyBRTDFXKAXCHCEI-UHFFFAOYSA-N
XLogP0.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 112703899) is 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is BRTDFXKAXCHCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-7-3-11-9(12-4-7)13-2-1-6(5-13)8(14)15/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112703899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).