1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol

C9H12FN3O — CID 118878110

IUPAC1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol
SMILESNc1cnc(N2CCC(O)C2)c(F)c1
InChIInChI=1S/C9H12FN3O/c10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5,11H2
InChIKeyRZMVYIRZOWSNMM-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.37
Rot. Bonds1

About 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol

1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 118878110) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol
PubChem CID118878110
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol
SMILESNc1cnc(N2CCC(O)C2)c(F)c1
InChIInChI=1S/C9H12FN3O/c10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5,11H2
InChIKeyRZMVYIRZOWSNMM-UHFFFAOYSA-N
XLogP0.37
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol (CID 118878110) is 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol is Nc1cnc(N2CCC(O)C2)c(F)c1.
What is the InChIKey of 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is RZMVYIRZOWSNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5,11H2.
What are the key properties of 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol?
1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 118878110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).