6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one

C13H15FN2O2 — CID 161396154

IUPAC6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one
SMILESCC/C(=C\F)COc1cc2c(cn1)C(=O)NCC2
InChIInChI=1S/C13H15FN2O2/c1-2-9(6-14)8-18-12-5-10-3-4-15-13(17)11(10)7-16-12/h5-7H,2-4,8H2,1H3,(H,15,17)/b9-6+
InChIKeyUJKDIAPMAYZNMN-RMKNXTFCSA-N
MW250.27 g/mol
LogP2.01
Rot. Bonds4

About 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one

6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one (PubChem CID 161396154) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one
PubChem CID161396154
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one
SMILESCC/C(=C\F)COc1cc2c(cn1)C(=O)NCC2
InChIInChI=1S/C13H15FN2O2/c1-2-9(6-14)8-18-12-5-10-3-4-15-13(17)11(10)7-16-12/h5-7H,2-4,8H2,1H3,(H,15,17)/b9-6+
InChIKeyUJKDIAPMAYZNMN-RMKNXTFCSA-N
XLogP2.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one (CID 161396154) is 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one is CC/C(=C\F)COc1cc2c(cn1)C(=O)NCC2.
What is the InChIKey of 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one?
The InChIKey is UJKDIAPMAYZNMN-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-9(6-14)8-18-12-5-10-3-4-15-13(17)11(10)7-16-12/h5-7H,2-4,8H2,1H3,(H,15,17)/b9-6+.
What are the key properties of 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one?
6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one has a molecular weight of 250.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-(fluoromethylidene)butoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 161396154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).