6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one

C13H15BrF2N2O2 — CID 129271890

IUPAC6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOCCC1CC(=O)N(CC(F)F)c2ncc(Br)cc21
InChIInChI=1S/C13H15BrF2N2O2/c1-20-3-2-8-4-12(19)18(7-11(15)16)13-10(8)5-9(14)6-17-13/h5-6,8,11H,2-4,7H2,1H3
InChIKeyOKCDVDRYLHLAKN-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.97
Rot. Bonds5

About 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one

6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 129271890) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID129271890
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC Name6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOCCC1CC(=O)N(CC(F)F)c2ncc(Br)cc21
InChIInChI=1S/C13H15BrF2N2O2/c1-20-3-2-8-4-12(19)18(7-11(15)16)13-10(8)5-9(14)6-17-13/h5-6,8,11H,2-4,7H2,1H3
InChIKeyOKCDVDRYLHLAKN-UHFFFAOYSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one (CID 129271890) is 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one is COCCC1CC(=O)N(CC(F)F)c2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is OKCDVDRYLHLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c1-20-3-2-8-4-12(19)18(7-11(15)16)13-10(8)5-9(14)6-17-13/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 349.18 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,2-difluoroethyl)-4-(2-methoxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 129271890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).