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

C10H9BrN2O3 — CID 11108881

IUPACmethyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)C1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C10H9BrN2O3/c1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14/h2,4,7H,3H2,1H3,(H,12,13,14)
InChIKeyLEMXGMUEKGWKPR-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.13
Rot. Bonds1

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

methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 11108881) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
PubChem CID11108881
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Namemethyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)C1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C10H9BrN2O3/c1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14/h2,4,7H,3H2,1H3,(H,12,13,14)
InChIKeyLEMXGMUEKGWKPR-UHFFFAOYSA-N
XLogP1.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate (CID 11108881) is methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate is COC(=O)C1Cc2cc(Br)cnc2NC1=O.
What is the InChIKey of methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is LEMXGMUEKGWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14/h2,4,7H,3H2,1H3,(H,12,13,14).
What are the key properties of methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate?
methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 285.10 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 11108881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).