7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one

C10H8BrFN2O — CID 178132037

IUPAC7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
SMILESCc1cc2ncc(CBr)c(F)c2[nH]c1=O
InChIInChI=1S/C10H8BrFN2O/c1-5-2-7-9(14-10(5)15)8(12)6(3-11)4-13-7/h2,4H,3H2,1H3,(H,14,15)
InChIKeyMIVNHRUQMYGMAL-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.27
Rot. Bonds1

About 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one

7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one (PubChem CID 178132037) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
PubChem CID178132037
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
SMILESCc1cc2ncc(CBr)c(F)c2[nH]c1=O
InChIInChI=1S/C10H8BrFN2O/c1-5-2-7-9(14-10(5)15)8(12)6(3-11)4-13-7/h2,4H,3H2,1H3,(H,14,15)
InChIKeyMIVNHRUQMYGMAL-UHFFFAOYSA-N
XLogP2.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one (CID 178132037) is 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one is Cc1cc2ncc(CBr)c(F)c2[nH]c1=O.
What is the InChIKey of 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one?
The InChIKey is MIVNHRUQMYGMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-5-2-7-9(14-10(5)15)8(12)6(3-11)4-13-7/h2,4H,3H2,1H3,(H,14,15).
What are the key properties of 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one?
7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one has a molecular weight of 271.09 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 178132037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).