2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine

C23H22F3NO — CID 58140812

IUPAC2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine
SMILESCCOCc1ccc(-c2ccc(CCc3ccc(C)c(F)c3)cn2)c(F)c1F
InChIInChI=1S/C23H22F3NO/c1-3-28-14-18-9-10-19(23(26)22(18)25)21-11-8-17(13-27-21)7-6-16-5-4-15(2)20(24)12-16/h4-5,8-13H,3,6-7,14H2,1-2H3
InChIKeyHNEFYQSIPJLAPY-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.80
Rot. Bonds7

About 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine

2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine (PubChem CID 58140812) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine
PubChem CID58140812
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine
SMILESCCOCc1ccc(-c2ccc(CCc3ccc(C)c(F)c3)cn2)c(F)c1F
InChIInChI=1S/C23H22F3NO/c1-3-28-14-18-9-10-19(23(26)22(18)25)21-11-8-17(13-27-21)7-6-16-5-4-15(2)20(24)12-16/h4-5,8-13H,3,6-7,14H2,1-2H3
InChIKeyHNEFYQSIPJLAPY-UHFFFAOYSA-N
XLogP5.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine?
The IUPAC name of 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine (CID 58140812) is 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine?
The canonical SMILES for 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine is CCOCc1ccc(-c2ccc(CCc3ccc(C)c(F)c3)cn2)c(F)c1F.
What is the InChIKey of 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine?
The InChIKey is HNEFYQSIPJLAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-3-28-14-18-9-10-19(23(26)22(18)25)21-11-8-17(13-27-21)7-6-16-5-4-15(2)20(24)12-16/h4-5,8-13H,3,6-7,14H2,1-2H3.
What are the key properties of 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine?
2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine has a molecular weight of 385.43 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)-2,3-difluorophenyl]-5-[2-(3-fluoro-4-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 58140812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).