ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C12H11BrN2O3 — CID 166831298

IUPACethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)c2cc(Br)cnc2[nH]c1=O
InChIInChI=1S/C12H11BrN2O3/c1-3-18-12(17)9-6(2)8-4-7(13)5-14-10(8)15-11(9)16/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyONENSOWHPJWVIP-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.17
Rot. Bonds2

About ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 166831298) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID166831298
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Nameethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)c2cc(Br)cnc2[nH]c1=O
InChIInChI=1S/C12H11BrN2O3/c1-3-18-12(17)9-6(2)8-4-7(13)5-14-10(8)15-11(9)16/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyONENSOWHPJWVIP-UHFFFAOYSA-N
XLogP2.17
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072
ethyl 5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759073
methyl 5-bromo-2-(2-methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759074
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
diethyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)propanedioate
CID 138964853
5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 123822296
ethyl 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 22105943

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 166831298) is ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(C)c2cc(Br)cnc2[nH]c1=O.
What is the InChIKey of ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is ONENSOWHPJWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-3-18-12(17)9-6(2)8-4-7(13)5-14-10(8)15-11(9)16/h4-5H,3H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 311.14 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 166831298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).