3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol

C10H13FN2O — CID 104737517

IUPAC3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccncc2F)C1
InChIInChI=1S/C10H13FN2O/c1-13-5-3-10(14,7-13)8-2-4-12-6-9(8)11/h2,4,6,14H,3,5,7H2,1H3
InChIKeyOXDMKIBXLZYWFD-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.74
Rot. Bonds1

About 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol

3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol (PubChem CID 104737517) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
PubChem CID104737517
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccncc2F)C1
InChIInChI=1S/C10H13FN2O/c1-13-5-3-10(14,7-13)8-2-4-12-6-9(8)11/h2,4,6,14H,3,5,7H2,1H3
InChIKeyOXDMKIBXLZYWFD-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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Related Compounds

1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 79743161
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964614
4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
CID 104737699
3-(5-fluoro-3-pyridinyl)-1-methylpyrrolidin-3-ol
CID 62977273
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol
CID 178114878
1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
CID 165491618
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
CID 104737601
4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol
CID 12694024

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol (CID 104737517) is 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(c2ccncc2F)C1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol?
The InChIKey is OXDMKIBXLZYWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-5-3-10(14,7-13)8-2-4-12-6-9(8)11/h2,4,6,14H,3,5,7H2,1H3.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol?
3-(3-fluoro-4-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-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 104737517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).