2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine

C15H17F2NO — CID 141220736

IUPAC2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine
SMILESCCN1C=C(OCc2ccccc2)C=CC1C(F)F
InChIInChI=1S/C15H17F2NO/c1-2-18-10-13(8-9-14(18)15(16)17)19-11-12-6-4-3-5-7-12/h3-10,14-15H,2,11H2,1H3
InChIKeyJIADETXUIOLZBU-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.57
Rot. Bonds5

About 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine

2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine (PubChem CID 141220736) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine
PubChem CID141220736
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine
SMILESCCN1C=C(OCc2ccccc2)C=CC1C(F)F
InChIInChI=1S/C15H17F2NO/c1-2-18-10-13(8-9-14(18)15(16)17)19-11-12-6-4-3-5-7-12/h3-10,14-15H,2,11H2,1H3
InChIKeyJIADETXUIOLZBU-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine?
The IUPAC name of 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine (CID 141220736) is 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine.
What is the SMILES notation for 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine?
The canonical SMILES for 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine is CCN1C=C(OCc2ccccc2)C=CC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine?
The InChIKey is JIADETXUIOLZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-2-18-10-13(8-9-14(18)15(16)17)19-11-12-6-4-3-5-7-12/h3-10,14-15H,2,11H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine?
2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine has a molecular weight of 265.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-ethyl-5-phenylmethoxy-2H-pyridine is sourced from PubChem (CID 141220736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).