2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one

C22H16FNO5 — CID 134171721

IUPAC2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccc(F)nc4)cc3)oc2c1O
InChIInChI=1S/C22H16FNO5/c1-27-17-10-18(28-2)21(26)22-20(17)15(25)9-16(29-22)13-5-3-12(4-6-13)14-7-8-19(23)24-11-14/h3-11,26H,1-2H3
InChIKeyAIGORWDVIVJDEF-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.38
Rot. Bonds4

About 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one

2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one (PubChem CID 134171721) has the molecular formula C22H16FNO5 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one
PubChem CID134171721
Molecular FormulaC22H16FNO5
Molecular Weight393.37 g/mol
Exact Mass393.10
IUPAC Name2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccc(F)nc4)cc3)oc2c1O
InChIInChI=1S/C22H16FNO5/c1-27-17-10-18(28-2)21(26)22-20(17)15(25)9-16(29-22)13-5-3-12(4-6-13)14-7-8-19(23)24-11-14/h3-11,26H,1-2H3
InChIKeyAIGORWDVIVJDEF-UHFFFAOYSA-N
XLogP4.38
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 72631
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CID 44591967
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CID 59599576
CID 59599576
CID 24747810
CID 24747810
CID 44265520
CID 44265520
CID 102340687
CID 102340687
CID 118707988
CID 118707988
CID 118707990
CID 118707990
CID 122182218
CID 122182218
CID 122193611
CID 122193611

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one (CID 134171721) is 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccc(F)nc4)cc3)oc2c1O.
What is the InChIKey of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one?
The InChIKey is AIGORWDVIVJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO5/c1-27-17-10-18(28-2)21(26)22-20(17)15(25)9-16(29-22)13-5-3-12(4-6-13)14-7-8-19(23)24-11-14/h3-11,26H,1-2H3.
What are the key properties of 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one?
2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one has a molecular weight of 393.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-3-pyridinyl)phenyl]-8-hydroxy-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 134171721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).