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

C11H16FN3O — CID 175660744

IUPAC1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
SMILESCNCC1(O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C11H16FN3O/c1-13-7-11(16)4-5-15(8-11)10-3-2-9(12)6-14-10/h2-3,6,13,16H,4-5,7-8H2,1H3
InChIKeyRBAAXLJACAVWIA-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.38
Rot. Bonds3

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

1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol (PubChem CID 175660744) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
PubChem CID175660744
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
SMILESCNCC1(O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C11H16FN3O/c1-13-7-11(16)4-5-15(8-11)10-3-2-9(12)6-14-10/h2-3,6,13,16H,4-5,7-8H2,1H3
InChIKeyRBAAXLJACAVWIA-UHFFFAOYSA-N
XLogP0.38
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol (CID 175660744) is 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol is CNCC1(O)CCN(c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol?
The InChIKey is RBAAXLJACAVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-13-7-11(16)4-5-15(8-11)10-3-2-9(12)6-14-10/h2-3,6,13,16H,4-5,7-8H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol?
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol has a molecular weight of 225.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol is sourced from PubChem (CID 175660744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).