3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione

C11H11BrN2O2 — CID 166082549

IUPAC3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
SMILESCCc1cc2[nH]c(=O)c(CBr)cc2[nH]c1=O
InChIInChI=1S/C11H11BrN2O2/c1-2-6-3-8-9(13-10(6)15)4-7(5-12)11(16)14-8/h3-4H,2,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyMEDWDZZOSYWSOR-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.67
Rot. Bonds2

About 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione

3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione (PubChem CID 166082549) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione.

Molecular Properties

Compound Name3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
PubChem CID166082549
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
SMILESCCc1cc2[nH]c(=O)c(CBr)cc2[nH]c1=O
InChIInChI=1S/C11H11BrN2O2/c1-2-6-3-8-9(13-10(6)15)4-7(5-12)11(16)14-8/h3-4H,2,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyMEDWDZZOSYWSOR-UHFFFAOYSA-N
XLogP1.67
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
CID 168984402
5-bromo-3-ethyl-6-methyl-1H-pyridin-2-one
CID 20779274
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione
CID 21189943
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
3-ethyl-7-(ethylamino)-1H-quinolin-2-one
CID 170712582
3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
CID 170115895
7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one
CID 166021931
3-(bromomethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520471
7-(bromomethyl)-3-ethyl-5-methyl-1H-quinoxalin-2-one
CID 169098846

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione?
The IUPAC name of 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione (CID 166082549) is 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione.
What is the SMILES notation for 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione?
The canonical SMILES for 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione is CCc1cc2[nH]c(=O)c(CBr)cc2[nH]c1=O.
What is the InChIKey of 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione?
The InChIKey is MEDWDZZOSYWSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-6-3-8-9(13-10(6)15)4-7(5-12)11(16)14-8/h3-4H,2,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione?
3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione has a molecular weight of 283.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 166082549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).