2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C14H15F2N3O — CID 138988925

IUPAC2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC(F)(F)CC1)CCOC2
InChIInChI=1S/C14H15F2N3O/c15-14(16)2-4-19(5-3-14)13-10(8-17)7-11-9-20-6-1-12(11)18-13/h7H,1-6,9H2
InChIKeyQGMWORZLOZHYGP-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.26
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 138988925) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID138988925
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC(F)(F)CC1)CCOC2
InChIInChI=1S/C14H15F2N3O/c15-14(16)2-4-19(5-3-14)13-10(8-17)7-11-9-20-6-1-12(11)18-13/h7H,1-6,9H2
InChIKeyQGMWORZLOZHYGP-UHFFFAOYSA-N
XLogP2.26
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 138988925) is 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CCC(F)(F)CC1)CCOC2.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is QGMWORZLOZHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)2-4-19(5-3-14)13-10(8-17)7-11-9-20-6-1-12(11)18-13/h7H,1-6,9H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 279.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 138988925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).