2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

C21H16FNO5 — CID 162658116

IUPAC2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(F)c3)oc12
InChIInChI=1S/C21H16FNO5/c1-25-15-4-5-16(26-2)20-19(15)18(27-3)7-13-14(24)8-17(28-21(13)20)11-6-12(22)10-23-9-11/h4-10H,1-3H3
InChIKeyKDLAGYSQQQFFSB-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.17
Rot. Bonds4

About 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (PubChem CID 162658116) has the molecular formula C21H16FNO5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
PubChem CID162658116
Molecular FormulaC21H16FNO5
Molecular Weight381.36 g/mol
Exact Mass381.10
IUPAC Name2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(F)c3)oc12
InChIInChI=1S/C21H16FNO5/c1-25-15-4-5-16(26-2)20-19(15)18(27-3)7-13-14(24)8-17(28-21(13)20)11-6-12(22)10-23-9-11/h4-10H,1-3H3
InChIKeyKDLAGYSQQQFFSB-UHFFFAOYSA-N
XLogP4.17
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (CID 162658116) is 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(F)c3)oc12.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The InChIKey is KDLAGYSQQQFFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO5/c1-25-15-4-5-16(26-2)20-19(15)18(27-3)7-13-14(24)8-17(28-21(13)20)11-6-12(22)10-23-9-11/h4-10H,1-3H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one has a molecular weight of 381.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is sourced from PubChem (CID 162658116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).