4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one

C14H12FNO2 — CID 141343283

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3c(c2)CCCO3)c(F)c[nH]1
InChIInChI=1S/C14H12FNO2/c15-12-8-16-14(17)7-11(12)9-3-4-13-10(6-9)2-1-5-18-13/h3-4,6-8H,1-2,5H2,(H,16,17)
InChIKeyPFOONZULPAZBIE-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.51
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one

4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one (PubChem CID 141343283) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one
PubChem CID141343283
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3c(c2)CCCO3)c(F)c[nH]1
InChIInChI=1S/C14H12FNO2/c15-12-8-16-14(17)7-11(12)9-3-4-13-10(6-9)2-1-5-18-13/h3-4,6-8H,1-2,5H2,(H,16,17)
InChIKeyPFOONZULPAZBIE-UHFFFAOYSA-N
XLogP2.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one (CID 141343283) is 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one is O=c1cc(-c2ccc3c(c2)CCCO3)c(F)c[nH]1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is PFOONZULPAZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-8-16-14(17)7-11(12)9-3-4-13-10(6-9)2-1-5-18-13/h3-4,6-8H,1-2,5H2,(H,16,17).
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one?
4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 245.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 141343283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).