2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one

C22H16FNO4 — CID 90681396

IUPAC2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccc(F)nc4)cc3)oc2c1
InChIInChI=1S/C22H16FNO4/c1-26-16-9-19(27-2)22-17(25)11-18(28-20(22)10-16)14-5-3-13(4-6-14)15-7-8-21(23)24-12-15/h3-12H,1-2H3
InChIKeyLEWYIPZIOKAHGO-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.68
Rot. Bonds4

About 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one

2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one (PubChem CID 90681396) 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]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one
PubChem CID90681396
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccc(F)nc4)cc3)oc2c1
InChIInChI=1S/C22H16FNO4/c1-26-16-9-19(27-2)22-17(25)11-18(28-20(22)10-16)14-5-3-13(4-6-14)15-7-8-21(23)24-12-15/h3-12H,1-2H3
InChIKeyLEWYIPZIOKAHGO-UHFFFAOYSA-N
XLogP4.68
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one (CID 90681396) is 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccc(F)nc4)cc3)oc2c1.
What is the InChIKey of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is LEWYIPZIOKAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c1-26-16-9-19(27-2)22-17(25)11-18(28-20(22)10-16)14-5-3-13(4-6-14)15-7-8-21(23)24-12-15/h3-12H,1-2H3.
What are the key properties of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one?
2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 377.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 90681396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).