2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine

C16H16F2N2O — CID 68924816

IUPAC2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
SMILESFc1ccc(-c2ncccc2COC2CCNC2)cc1F
InChIInChI=1S/C16H16F2N2O/c17-14-4-3-11(8-15(14)18)16-12(2-1-6-20-16)10-21-13-5-7-19-9-13/h1-4,6,8,13,19H,5,7,9-10H2
InChIKeyHUHIVEJAJKWLSP-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.91
Rot. Bonds4

About 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine

2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine (PubChem CID 68924816) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
PubChem CID68924816
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
SMILESFc1ccc(-c2ncccc2COC2CCNC2)cc1F
InChIInChI=1S/C16H16F2N2O/c17-14-4-3-11(8-15(14)18)16-12(2-1-6-20-16)10-21-13-5-7-19-9-13/h1-4,6,8,13,19H,5,7,9-10H2
InChIKeyHUHIVEJAJKWLSP-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine (CID 68924816) is 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine is Fc1ccc(-c2ncccc2COC2CCNC2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
The InChIKey is HUHIVEJAJKWLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-4-3-11(8-15(14)18)16-12(2-1-6-20-16)10-21-13-5-7-19-9-13/h1-4,6,8,13,19H,5,7,9-10H2.
What are the key properties of 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine has a molecular weight of 290.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine is sourced from PubChem (CID 68924816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).