6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid

C10H12N2O3 — CID 67075939

IUPAC6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid
SMILESCOc1ccc2c(n1)CCC(C(=O)O)N2
InChIInChI=1S/C10H12N2O3/c1-15-9-5-4-6-7(12-9)2-3-8(11-6)10(13)14/h4-5,8,11H,2-3H2,1H3,(H,13,14)
InChIKeyQNTZFNMBTZKSNA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.90
Rot. Bonds2

About 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid

6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid (PubChem CID 67075939) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid
PubChem CID67075939
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid
SMILESCOc1ccc2c(n1)CCC(C(=O)O)N2
InChIInChI=1S/C10H12N2O3/c1-15-9-5-4-6-7(12-9)2-3-8(11-6)10(13)14/h4-5,8,11H,2-3H2,1H3,(H,13,14)
InChIKeyQNTZFNMBTZKSNA-UHFFFAOYSA-N
XLogP0.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid (CID 67075939) is 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid is COc1ccc2c(n1)CCC(C(=O)O)N2.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid?
The InChIKey is QNTZFNMBTZKSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9-5-4-6-7(12-9)2-3-8(11-6)10(13)14/h4-5,8,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid?
6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 67075939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).