2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine

C19H18FNO — CID 123994030

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine
SMILESFc1ccc(-c2cccnc2C2=CCOCC2)c2c1CCC2
InChIInChI=1S/C19H18FNO/c20-18-7-6-15(14-3-1-4-16(14)18)17-5-2-10-21-19(17)13-8-11-22-12-9-13/h2,5-8,10H,1,3-4,9,11-12H2
InChIKeyBEDROPJBKHHZEH-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.18
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine

2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine (PubChem CID 123994030) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine
PubChem CID123994030
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine
SMILESFc1ccc(-c2cccnc2C2=CCOCC2)c2c1CCC2
InChIInChI=1S/C19H18FNO/c20-18-7-6-15(14-3-1-4-16(14)18)17-5-2-10-21-19(17)13-8-11-22-12-9-13/h2,5-8,10H,1,3-4,9,11-12H2
InChIKeyBEDROPJBKHHZEH-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine (CID 123994030) is 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine is Fc1ccc(-c2cccnc2C2=CCOCC2)c2c1CCC2.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine?
The InChIKey is BEDROPJBKHHZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c20-18-7-6-15(14-3-1-4-16(14)18)17-5-2-10-21-19(17)13-8-11-22-12-9-13/h2,5-8,10H,1,3-4,9,11-12H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine?
2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine has a molecular weight of 295.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)pyridine is sourced from PubChem (CID 123994030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).