8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C17H15F2NO3 — CID 121389353

IUPAC8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4c(c3)C(F)(F)CCO4)cncc21
InChIInChI=1S/C17H15F2NO3/c18-17(19)3-4-23-16-2-1-10(5-14(16)17)11-6-20-7-12-13(11)8-22-9-15(12)21/h1-2,5-7,15,21H,3-4,8-9H2
InChIKeyIMBZHYUGNZLUQN-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.19
Rot. Bonds1

About 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389353) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389353
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4c(c3)C(F)(F)CCO4)cncc21
InChIInChI=1S/C17H15F2NO3/c18-17(19)3-4-23-16-2-1-10(5-14(16)17)11-6-20-7-12-13(11)8-22-9-15(12)21/h1-2,5-7,15,21H,3-4,8-9H2
InChIKeyIMBZHYUGNZLUQN-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389353) is 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is OC1COCc2c(-c3ccc4c(c3)C(F)(F)CCO4)cncc21.
What is the InChIKey of 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is IMBZHYUGNZLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-17(19)3-4-23-16-2-1-10(5-14(16)17)11-6-20-7-12-13(11)8-22-9-15(12)21/h1-2,5-7,15,21H,3-4,8-9H2.
What are the key properties of 8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 319.31 g/mol, XLogP of 3.19, 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-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).