7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid

C10H12N2O3 — CID 166721469

IUPAC7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
SMILESCn1ccc2c(c1=O)CN(C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-11-4-2-7-3-5-12(10(14)15)6-8(7)9(11)13/h2,4H,3,5-6H2,1H3,(H,14,15)
InChIKeyUKKQNYFTPGUULK-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.42
Rot. Bonds

About 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid

7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid (PubChem CID 166721469) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
PubChem CID166721469
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
SMILESCn1ccc2c(c1=O)CN(C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-11-4-2-7-3-5-12(10(14)15)6-8(7)9(11)13/h2,4H,3,5-6H2,1H3,(H,14,15)
InChIKeyUKKQNYFTPGUULK-UHFFFAOYSA-N
XLogP0.42
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid?
The IUPAC name of 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid (CID 166721469) is 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid?
The canonical SMILES for 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid is Cn1ccc2c(c1=O)CN(C(=O)O)CC2.
What is the InChIKey of 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid?
The InChIKey is UKKQNYFTPGUULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-4-2-7-3-5-12(10(14)15)6-8(7)9(11)13/h2,4H,3,5-6H2,1H3,(H,14,15).
What are the key properties of 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid?
7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 166721469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).