6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one

C14H10FNO2 — CID 73055881

IUPAC6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(F)ccc2OCC1c1cccnc1
InChIInChI=1S/C14H10FNO2/c15-10-3-4-13-11(6-10)14(17)12(8-18-13)9-2-1-5-16-7-9/h1-7,12H,8H2
InChIKeyAWTGRDYTUFOKOH-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.58
Rot. Bonds1

About 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one

6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 73055881) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID73055881
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(F)ccc2OCC1c1cccnc1
InChIInChI=1S/C14H10FNO2/c15-10-3-4-13-11(6-10)14(17)12(8-18-13)9-2-1-5-16-7-9/h1-7,12H,8H2
InChIKeyAWTGRDYTUFOKOH-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 73055881) is 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one is O=C1c2cc(F)ccc2OCC1c1cccnc1.
What is the InChIKey of 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is AWTGRDYTUFOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-10-3-4-13-11(6-10)14(17)12(8-18-13)9-2-1-5-16-7-9/h1-7,12H,8H2.
What are the key properties of 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 243.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 73055881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).