3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine

C20H17F2NO — CID 46044362

IUPAC3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
SMILESCCc1cccc(OCc2cncc(-c3cc(F)cc(F)c3)c2)c1
InChIInChI=1S/C20H17F2NO/c1-2-14-4-3-5-20(7-14)24-13-15-6-17(12-23-11-15)16-8-18(21)10-19(22)9-16/h3-12H,2,13H2,1H3
InChIKeyUEVFSPBNEOBKNS-UHFFFAOYSA-N
MW325.36 g/mol
LogP5.17
Rot. Bonds5

About 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine

3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine (PubChem CID 46044362) has the molecular formula C20H17F2NO and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
PubChem CID46044362
Molecular FormulaC20H17F2NO
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
SMILESCCc1cccc(OCc2cncc(-c3cc(F)cc(F)c3)c2)c1
InChIInChI=1S/C20H17F2NO/c1-2-14-4-3-5-20(7-14)24-13-15-6-17(12-23-11-15)16-8-18(21)10-19(22)9-16/h3-12H,2,13H2,1H3
InChIKeyUEVFSPBNEOBKNS-UHFFFAOYSA-N
XLogP5.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
3-(3-ethylphenyl)-5-(3-methoxyphenyl)pyridine
CID 71141792
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
CID 102881690
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
3-[3-[(3-ethylphenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697897
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-ethyl-5-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 62195699
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine (CID 46044362) is 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine is CCc1cccc(OCc2cncc(-c3cc(F)cc(F)c3)c2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine?
The InChIKey is UEVFSPBNEOBKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO/c1-2-14-4-3-5-20(7-14)24-13-15-6-17(12-23-11-15)16-8-18(21)10-19(22)9-16/h3-12H,2,13H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine?
3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine has a molecular weight of 325.36 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine is sourced from PubChem (CID 46044362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).