2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine

C20H17F2NO — CID 23190649

IUPAC2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
SMILESCCCOc1ccc(-c2ccc(-c3cnc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C20H17F2NO/c1-2-11-24-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-12-19(21)20(22)23-13-17/h3-10,12-13H,2,11H2,1H3
InChIKeyLYPXMBRQAFIERV-UHFFFAOYSA-N
MW325.36 g/mol
LogP5.48
Rot. Bonds5

About 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine

2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine (PubChem CID 23190649) has the molecular formula C20H17F2NO and a molecular weight of 325.36 g/mol. Its IUPAC name is 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
PubChem CID23190649
Molecular FormulaC20H17F2NO
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
SMILESCCCOc1ccc(-c2ccc(-c3cnc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C20H17F2NO/c1-2-11-24-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-12-19(21)20(22)23-13-17/h3-10,12-13H,2,11H2,1H3
InChIKeyLYPXMBRQAFIERV-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
4-[5-(4-decoxyphenyl)pyrimidin-2-yl]-2,6-difluorobenzonitrile
CID 14618837
2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
CID 19765813
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
2-[2-(3,4-difluorophenyl)ethynyl]-1,3-difluoro-5-(4-propoxyphenyl)benzene
CID 67685723
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
3-(4-propoxyphenyl)-1,10-phenanthroline
CID 174763082
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918
4-(4-propoxyphenyl)-1,2-oxazole
CID 20636858
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine?
The IUPAC name of 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine (CID 23190649) is 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine.
What is the SMILES notation for 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine?
The canonical SMILES for 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine is CCCOc1ccc(-c2ccc(-c3cnc(F)c(F)c3)cc2)cc1.
What is the InChIKey of 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine?
The InChIKey is LYPXMBRQAFIERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO/c1-2-11-24-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-12-19(21)20(22)23-13-17/h3-10,12-13H,2,11H2,1H3.
What are the key properties of 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine?
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine has a molecular weight of 325.36 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine is sourced from PubChem (CID 23190649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).