3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine

C20H19FN2O — CID 66753203

IUPAC3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine
SMILESFc1cncc([C@@H](Oc2ccc3ccccc3c2)C2CCNC2)c1
InChIInChI=1S/C20H19FN2O/c21-18-9-17(12-23-13-18)20(16-7-8-22-11-16)24-19-6-5-14-3-1-2-4-15(14)10-19/h1-6,9-10,12-13,16,20,22H,7-8,11H2/t16?,20-/m0/s1
InChIKeyMYUTYPDDGMQIKW-FZCLLLDFSA-N
MW322.38 g/mol
LogP4.10
Rot. Bonds4

About 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine

3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine (PubChem CID 66753203) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine
PubChem CID66753203
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine
SMILESFc1cncc([C@@H](Oc2ccc3ccccc3c2)C2CCNC2)c1
InChIInChI=1S/C20H19FN2O/c21-18-9-17(12-23-13-18)20(16-7-8-22-11-16)24-19-6-5-14-3-1-2-4-15(14)10-19/h1-6,9-10,12-13,16,20,22H,7-8,11H2/t16?,20-/m0/s1
InChIKeyMYUTYPDDGMQIKW-FZCLLLDFSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine (CID 66753203) is 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine is Fc1cncc([C@@H](Oc2ccc3ccccc3c2)C2CCNC2)c1.
What is the InChIKey of 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine?
The InChIKey is MYUTYPDDGMQIKW-FZCLLLDFSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-18-9-17(12-23-13-18)20(16-7-8-22-11-16)24-19-6-5-14-3-1-2-4-15(14)10-19/h1-6,9-10,12-13,16,20,22H,7-8,11H2/t16?,20-/m0/s1.
What are the key properties of 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine?
3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine has a molecular weight of 322.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(S)-naphthalen-2-yloxy(pyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 66753203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).