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

C16H16F2N2O — CID 68927938

IUPAC2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
SMILESFc1ccc(-c2ncccc2COC2CCNC2)c(F)c1
InChIInChI=1S/C16H16F2N2O/c17-12-3-4-14(15(18)8-12)16-11(2-1-6-20-16)10-21-13-5-7-19-9-13/h1-4,6,8,13,19H,5,7,9-10H2
InChIKeyKJNLOJWCQKOTJL-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.91
Rot. Bonds4

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

2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine (PubChem CID 68927938) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
PubChem CID68927938
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
SMILESFc1ccc(-c2ncccc2COC2CCNC2)c(F)c1
InChIInChI=1S/C16H16F2N2O/c17-12-3-4-14(15(18)8-12)16-11(2-1-6-20-16)10-21-13-5-7-19-9-13/h1-4,6,8,13,19H,5,7,9-10H2
InChIKeyKJNLOJWCQKOTJL-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

Analyze 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
CID 68924816
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
but-2-enedioic acid;(3R)-3-[[2-(2,4-difluorophenyl)phenyl]methoxy]pyrrolidine
CID 68921762
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 68927392
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine
CID 68927149
3-fluoro-4-(pyrrolidin-3-yloxymethyl)benzonitrile
CID 62327906
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine (CID 68927938) is 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine is Fc1ccc(-c2ncccc2COC2CCNC2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
The InChIKey is KJNLOJWCQKOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-3-4-14(15(18)8-12)16-11(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-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine?
2-(2,4-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-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine is sourced from PubChem (CID 68927938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).