tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C14H15BrN2O3 — CID 163253778

IUPACtert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCn1cc(C(=O)OC(C)(C)C)c(=O)c2cc(Br)cnc21
InChIInChI=1S/C14H15BrN2O3/c1-14(2,3)20-13(19)10-7-17(4)12-9(11(10)18)5-8(15)6-16-12/h5-7H,1-4H3
InChIKeyRGQXGOZHDKJZJJ-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.65
Rot. Bonds1

About tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 163253778) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID163253778
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Nametert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCn1cc(C(=O)OC(C)(C)C)c(=O)c2cc(Br)cnc21
InChIInChI=1S/C14H15BrN2O3/c1-14(2,3)20-13(19)10-7-17(4)12-9(11(10)18)5-8(15)6-16-12/h5-7H,1-4H3
InChIKeyRGQXGOZHDKJZJJ-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-bromo-3-methylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 73013576
5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 145183128
3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 68750807
tert-butyl 6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridine-3-carboxylate
CID 171465718
tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl 2-bromo-5-iodopyridine-3-carboxylate
CID 133057059
tert-butyl 5-bromo-3-(tert-butylcarbamoyloxy)pyridine-2-carboxylate
CID 175134235
tert-butyl 3-(5-bromo-3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 176563472
tert-butyl N-[(3,5-dibromo-2-pyridinyl)methylamino]carbamate
CID 107237371
tert-butyl 3,5-dibromo-2-hydroxybenzoate
CID 15931183
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 163253778) is tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is Cn1cc(C(=O)OC(C)(C)C)c(=O)c2cc(Br)cnc21.
What is the InChIKey of tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is RGQXGOZHDKJZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-14(2,3)20-13(19)10-7-17(4)12-9(11(10)18)5-8(15)6-16-12/h5-7H,1-4H3.
What are the key properties of tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 339.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 163253778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).