5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one

C9H7BrN2O — CID 73187069

IUPAC5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one
SMILESCC1=CC2=NC(=O)C=CC2C(Br)=N1
InChIInChI=1S/C9H7BrN2O/c1-5-4-7-6(9(10)11-5)2-3-8(13)12-7/h2-4,6H,1H3
InChIKeyBDAIUYHFWCWRTD-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.85
Rot. Bonds

About 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one

5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one (PubChem CID 73187069) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one
PubChem CID73187069
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one
SMILESCC1=CC2=NC(=O)C=CC2C(Br)=N1
InChIInChI=1S/C9H7BrN2O/c1-5-4-7-6(9(10)11-5)2-3-8(13)12-7/h2-4,6H,1H3
InChIKeyBDAIUYHFWCWRTD-UHFFFAOYSA-N
XLogP1.85
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one?
The IUPAC name of 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one (CID 73187069) is 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one?
The canonical SMILES for 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one is CC1=CC2=NC(=O)C=CC2C(Br)=N1.
What is the InChIKey of 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one?
The InChIKey is BDAIUYHFWCWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-4-7-6(9(10)11-5)2-3-8(13)12-7/h2-4,6H,1H3.
What are the key properties of 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one?
5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one has a molecular weight of 239.07 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one is sourced from PubChem (CID 73187069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).