6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol

C25H21FN2O — CID 137017474

IUPAC6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol
SMILESCc1ccc(-c2ccc(C)c(-c3ccc(-c4ccccc4F)cn3)c2O)c(C)n1
InChIInChI=1S/C25H21FN2O/c1-15-8-11-21(19-12-9-16(2)28-17(19)3)25(29)24(15)23-13-10-18(14-27-23)20-6-4-5-7-22(20)26/h4-14,29H,1-3H3
InChIKeyIZZFKZQGILTLKK-UHFFFAOYSA-N
MW384.45 g/mol
LogP6.25
Rot. Bonds3

About 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol

6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol (PubChem CID 137017474) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol.

Molecular Properties

Compound Name6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol
PubChem CID137017474
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC Name6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol
SMILESCc1ccc(-c2ccc(C)c(-c3ccc(-c4ccccc4F)cn3)c2O)c(C)n1
InChIInChI=1S/C25H21FN2O/c1-15-8-11-21(19-12-9-16(2)28-17(19)3)25(29)24(15)23-13-10-18(14-27-23)20-6-4-5-7-22(20)26/h4-14,29H,1-3H3
InChIKeyIZZFKZQGILTLKK-UHFFFAOYSA-N
XLogP6.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol?
The IUPAC name of 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol (CID 137017474) is 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol.
What is the SMILES notation for 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol?
The canonical SMILES for 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol is Cc1ccc(-c2ccc(C)c(-c3ccc(-c4ccccc4F)cn3)c2O)c(C)n1.
What is the InChIKey of 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol?
The InChIKey is IZZFKZQGILTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O/c1-15-8-11-21(19-12-9-16(2)28-17(19)3)25(29)24(15)23-13-10-18(14-27-23)20-6-4-5-7-22(20)26/h4-14,29H,1-3H3.
What are the key properties of 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol?
6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol has a molecular weight of 384.45 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyl-3-pyridinyl)-2-[5-(2-fluorophenyl)-2-pyridinyl]-3-methylphenol is sourced from PubChem (CID 137017474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).