2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid

C16H12N2O3 — CID 155342375

IUPAC2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1nc2ccncc2cc1C(=O)O
InChIInChI=1S/C16H12N2O3/c1-21-14-5-3-2-4-11(14)15-12(16(19)20)8-10-9-17-7-6-13(10)18-15/h2-9H,1H3,(H,19,20)
InChIKeyOZBLZRLBYWPRNC-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid

2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid (PubChem CID 155342375) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid
PubChem CID155342375
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1nc2ccncc2cc1C(=O)O
InChIInChI=1S/C16H12N2O3/c1-21-14-5-3-2-4-11(14)15-12(16(19)20)8-10-9-17-7-6-13(10)18-15/h2-9H,1H3,(H,19,20)
InChIKeyOZBLZRLBYWPRNC-UHFFFAOYSA-N
XLogP3.00
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid (CID 155342375) is 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid is COc1ccccc1-c1nc2ccncc2cc1C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is OZBLZRLBYWPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-14-5-3-2-4-11(14)15-12(16(19)20)8-10-9-17-7-6-13(10)18-15/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid?
2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 155342375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).