8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C17H15F2NO3 — CID 121389366

IUPAC8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4c(c3)COCC4(F)F)cncc21
InChIInChI=1S/C17H15F2NO3/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-20-5-13-14(12)7-22-8-16(13)21/h1-5,16,21H,6-9H2
InChIKeyQDXOUTMNNBFOOV-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.93
Rot. Bonds1

About 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389366) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389366
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4c(c3)COCC4(F)F)cncc21
InChIInChI=1S/C17H15F2NO3/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-20-5-13-14(12)7-22-8-16(13)21/h1-5,16,21H,6-9H2
InChIKeyQDXOUTMNNBFOOV-UHFFFAOYSA-N
XLogP2.93
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389366) is 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is OC1COCc2c(-c3ccc4c(c3)COCC4(F)F)cncc21.
What is the InChIKey of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is QDXOUTMNNBFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-20-5-13-14(12)7-22-8-16(13)21/h1-5,16,21H,6-9H2.
What are the key properties of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 319.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).