2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one

C22H16FNO4 — CID 130230783

IUPAC2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one
SMILESCOc1c(C)cc(O)c2oc(-c3ccc(-c4ccc(F)nc4)cc3)cc(=O)c12
InChIInChI=1S/C22H16FNO4/c1-12-9-17(26)22-20(21(12)27-2)16(25)10-18(28-22)14-5-3-13(4-6-14)15-7-8-19(23)24-11-15/h3-11,26H,1-2H3
InChIKeyZHYUZOLFRNUKJR-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.68
Rot. Bonds3

About 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one

2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one (PubChem CID 130230783) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one.

Molecular Properties

Compound Name2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one
PubChem CID130230783
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one
SMILESCOc1c(C)cc(O)c2oc(-c3ccc(-c4ccc(F)nc4)cc3)cc(=O)c12
InChIInChI=1S/C22H16FNO4/c1-12-9-17(26)22-20(21(12)27-2)16(25)10-18(28-22)14-5-3-13(4-6-14)15-7-8-19(23)24-11-15/h3-11,26H,1-2H3
InChIKeyZHYUZOLFRNUKJR-UHFFFAOYSA-N
XLogP4.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one?
The IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one (CID 130230783) is 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one.
What is the SMILES notation for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one?
The canonical SMILES for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one is COc1c(C)cc(O)c2oc(-c3ccc(-c4ccc(F)nc4)cc3)cc(=O)c12.
What is the InChIKey of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one?
The InChIKey is ZHYUZOLFRNUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c1-12-9-17(26)22-20(21(12)27-2)16(25)10-18(28-22)14-5-3-13(4-6-14)15-7-8-19(23)24-11-15/h3-11,26H,1-2H3.
What are the key properties of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one?
2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one has a molecular weight of 377.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5-methoxy-6-methylchromen-4-one is sourced from PubChem (CID 130230783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).