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

C9H7BrN2O — CID 19374329

IUPAC6-bromo-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1nc2[nH]ccc(=O)c2cc1Br
InChIInChI=1S/C9H7BrN2O/c1-5-7(10)4-6-8(13)2-3-11-9(6)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyGMWZPVNIMVUDTO-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.99
Rot. Bonds

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

6-bromo-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 19374329) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-bromo-7-methyl-1H-1,8-naphthyridin-4-one
PubChem CID19374329
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1nc2[nH]ccc(=O)c2cc1Br
InChIInChI=1S/C9H7BrN2O/c1-5-7(10)4-6-8(13)2-3-11-9(6)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyGMWZPVNIMVUDTO-UHFFFAOYSA-N
XLogP1.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one (CID 19374329) is 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one is Cc1nc2[nH]ccc(=O)c2cc1Br.
What is the InChIKey of 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is GMWZPVNIMVUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-7(10)4-6-8(13)2-3-11-9(6)12-5/h2-4H,1H3,(H,11,12,13).
What are the key properties of 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one?
6-bromo-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 239.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 19374329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).