methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate

C11H9IN2O3 — CID 102941642

IUPACmethyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2nc(C)c(I)cc2c1=O
InChIInChI=1S/C11H9IN2O3/c1-5-8(12)3-6-9(15)7(11(16)17-2)4-13-10(6)14-5/h3-4H,1-2H3,(H,13,14,15)
InChIKeyAHWGSPHKDBHDBQ-UHFFFAOYSA-N
MW344.11 g/mol
LogP1.62
Rot. Bonds1

About methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate

methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 102941642) has the molecular formula C11H9IN2O3 and a molecular weight of 344.11 g/mol. Its IUPAC name is methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID102941642
Molecular FormulaC11H9IN2O3
Molecular Weight344.11 g/mol
Exact Mass343.97
IUPAC Namemethyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2nc(C)c(I)cc2c1=O
InChIInChI=1S/C11H9IN2O3/c1-5-8(12)3-6-9(15)7(11(16)17-2)4-13-10(6)14-5/h3-4H,1-2H3,(H,13,14,15)
InChIKeyAHWGSPHKDBHDBQ-UHFFFAOYSA-N
XLogP1.62
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one
CID 102941606
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
CID 19374300
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
methyl 5-iodo-6-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664730
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
methyl 2-methylsulfanyl-7-oxo-4H-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76850424
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
methyl 3-iodo-5-methyl-2H-indazole-6-carboxylate
CID 123135201

Frequently Asked Questions

What is the IUPAC name of methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 102941642) is methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate is COC(=O)c1c[nH]c2nc(C)c(I)cc2c1=O.
What is the InChIKey of methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is AHWGSPHKDBHDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O3/c1-5-8(12)3-6-9(15)7(11(16)17-2)4-13-10(6)14-5/h3-4H,1-2H3,(H,13,14,15).
What are the key properties of methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 344.11 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 102941642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).