3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane

C12H15BrN2O — CID 171556459

IUPAC3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane
SMILESCC.Cc1cc2c(cn1)cc(Br)c(=O)n2C
InChIInChI=1S/C10H9BrN2O.C2H6/c1-6-3-9-7(5-12-6)4-8(11)10(14)13(9)2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyBBJALIDTINASPV-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.03
Rot. Bonds

About 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane

3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane (PubChem CID 171556459) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane.

Molecular Properties

Compound Name3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane
PubChem CID171556459
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane
SMILESCC.Cc1cc2c(cn1)cc(Br)c(=O)n2C
InChIInChI=1S/C10H9BrN2O.C2H6/c1-6-3-9-7(5-12-6)4-8(11)10(14)13(9)2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyBBJALIDTINASPV-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane?
The IUPAC name of 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane (CID 171556459) is 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane.
What is the SMILES notation for 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane?
The canonical SMILES for 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane is CC.Cc1cc2c(cn1)cc(Br)c(=O)n2C.
What is the InChIKey of 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane?
The InChIKey is BBJALIDTINASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O.C2H6/c1-6-3-9-7(5-12-6)4-8(11)10(14)13(9)2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane?
3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane has a molecular weight of 283.17 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,7-dimethyl-1,6-naphthyridin-2-one;ethane is sourced from PubChem (CID 171556459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).