7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one

C15H10FNO2 — CID 127028817

IUPAC7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one
SMILESO=c1cc(Cc2ccncc2)oc2cc(F)ccc12
InChIInChI=1S/C15H10FNO2/c16-11-1-2-13-14(18)9-12(19-15(13)8-11)7-10-3-5-17-6-4-10/h1-6,8-9H,7H2
InChIKeyBAYJSUFIUXAGBB-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.92
Rot. Bonds2

About 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one

7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one (PubChem CID 127028817) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one
PubChem CID127028817
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one
SMILESO=c1cc(Cc2ccncc2)oc2cc(F)ccc12
InChIInChI=1S/C15H10FNO2/c16-11-1-2-13-14(18)9-12(19-15(13)8-11)7-10-3-5-17-6-4-10/h1-6,8-9H,7H2
InChIKeyBAYJSUFIUXAGBB-UHFFFAOYSA-N
XLogP2.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one?
The IUPAC name of 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one (CID 127028817) is 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one.
What is the SMILES notation for 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one?
The canonical SMILES for 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one is O=c1cc(Cc2ccncc2)oc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one?
The InChIKey is BAYJSUFIUXAGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-11-1-2-13-14(18)9-12(19-15(13)8-11)7-10-3-5-17-6-4-10/h1-6,8-9H,7H2.
What are the key properties of 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one?
7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one has a molecular weight of 255.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one is sourced from PubChem (CID 127028817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).