8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one

C10H7BrN2O — CID 134375080

IUPAC8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one
SMILESC=Cc1ccnc2c(Br)c(=O)[nH]cc12
InChIInChI=1S/C10H7BrN2O/c1-2-6-3-4-12-9-7(6)5-13-10(14)8(9)11/h2-5H,1H2,(H,13,14)
InChIKeyUWJQVZFNOTUBAW-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.33
Rot. Bonds1

About 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one

8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one (PubChem CID 134375080) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one
PubChem CID134375080
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one
SMILESC=Cc1ccnc2c(Br)c(=O)[nH]cc12
InChIInChI=1S/C10H7BrN2O/c1-2-6-3-4-12-9-7(6)5-13-10(14)8(9)11/h2-5H,1H2,(H,13,14)
InChIKeyUWJQVZFNOTUBAW-UHFFFAOYSA-N
XLogP2.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one?
The IUPAC name of 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one (CID 134375080) is 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one is C=Cc1ccnc2c(Br)c(=O)[nH]cc12.
What is the InChIKey of 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one?
The InChIKey is UWJQVZFNOTUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c1-2-6-3-4-12-9-7(6)5-13-10(14)8(9)11/h2-5H,1H2,(H,13,14).
What are the key properties of 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one?
8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one has a molecular weight of 251.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-ethenyl-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 134375080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).