methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate

C10H8N2O3 — CID 66523140

IUPACmethyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c(=O)[nH]ccc12
InChIInChI=1S/C10H8N2O3/c1-15-10(14)8-5-11-4-7-6(8)2-3-12-9(7)13/h2-5H,1H3,(H,12,13)
InChIKeyVZHCVPYBPVASHT-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.71
Rot. Bonds1

About methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate

methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate (PubChem CID 66523140) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate
PubChem CID66523140
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c(=O)[nH]ccc12
InChIInChI=1S/C10H8N2O3/c1-15-10(14)8-5-11-4-7-6(8)2-3-12-9(7)13/h2-5H,1H3,(H,12,13)
InChIKeyVZHCVPYBPVASHT-UHFFFAOYSA-N
XLogP0.71
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate (CID 66523140) is methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c(=O)[nH]ccc12.
What is the InChIKey of methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate?
The InChIKey is VZHCVPYBPVASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)8-5-11-4-7-6(8)2-3-12-9(7)13/h2-5H,1H3,(H,12,13).
What are the key properties of methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate?
methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 66523140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).