3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol

C10H13FN2O — CID 62977273

IUPAC3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cncc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c1-13-3-2-10(14,7-13)8-4-9(11)6-12-5-8/h4-6,14H,2-3,7H2,1H3
InChIKeyQYRPWRWTVBUIER-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.74
Rot. Bonds1

About 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol

3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol (PubChem CID 62977273) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol
PubChem CID62977273
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cncc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c1-13-3-2-10(14,7-13)8-4-9(11)6-12-5-8/h4-6,14H,2-3,7H2,1H3
InChIKeyQYRPWRWTVBUIER-UHFFFAOYSA-N
XLogP0.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol (CID 62977273) is 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(c2cncc(F)c2)C1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol?
The InChIKey is QYRPWRWTVBUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-3-2-10(14,7-13)8-4-9(11)6-12-5-8/h4-6,14H,2-3,7H2,1H3.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol?
3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol has a molecular weight of 196.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 62977273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).