2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol

C23H25FN2O — CID 137081310

IUPAC2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol
SMILESCCC(CC)(c1cccc(C)n1)C(F)c1cccc(-c2ccccc2O)n1
InChIInChI=1S/C23H25FN2O/c1-4-23(5-2,21-15-8-10-16(3)25-21)22(24)19-13-9-12-18(26-19)17-11-6-7-14-20(17)27/h6-15,22,27H,4-5H2,1-3H3
InChIKeyGYEZHZRJEIKAFF-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.93
Rot. Bonds6

About 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol

2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol (PubChem CID 137081310) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol
PubChem CID137081310
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol
SMILESCCC(CC)(c1cccc(C)n1)C(F)c1cccc(-c2ccccc2O)n1
InChIInChI=1S/C23H25FN2O/c1-4-23(5-2,21-15-8-10-16(3)25-21)22(24)19-13-9-12-18(26-19)17-11-6-7-14-20(17)27/h6-15,22,27H,4-5H2,1-3H3
InChIKeyGYEZHZRJEIKAFF-UHFFFAOYSA-N
XLogP5.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol (CID 137081310) is 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol is CCC(CC)(c1cccc(C)n1)C(F)c1cccc(-c2ccccc2O)n1.
What is the InChIKey of 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol?
The InChIKey is GYEZHZRJEIKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-4-23(5-2,21-15-8-10-16(3)25-21)22(24)19-13-9-12-18(26-19)17-11-6-7-14-20(17)27/h6-15,22,27H,4-5H2,1-3H3.
What are the key properties of 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol?
2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol has a molecular weight of 364.46 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-ethyl-1-fluoro-2-(6-methyl-2-pyridinyl)butyl]-2-pyridinyl]phenol is sourced from PubChem (CID 137081310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).