1,7-naphthyridine-8-carboxylic acid

C9H6N2O2 — CID 67127957

IUPAC1,7-naphthyridine-8-carboxylic acid
SMILESO=C(O)c1nccc2cccnc12
InChIInChI=1S/C9H6N2O2/c12-9(13)8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H,12,13)
InChIKeyZCJYCEANCAHRKR-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.33
Rot. Bonds1

About 1,7-naphthyridine-8-carboxylic acid

1,7-naphthyridine-8-carboxylic acid (PubChem CID 67127957) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1,7-naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name1,7-naphthyridine-8-carboxylic acid
PubChem CID67127957
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name1,7-naphthyridine-8-carboxylic acid
SMILESO=C(O)c1nccc2cccnc12
InChIInChI=1S/C9H6N2O2/c12-9(13)8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H,12,13)
InChIKeyZCJYCEANCAHRKR-UHFFFAOYSA-N
XLogP1.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-naphthyridine-8-carboxylic acid?
The IUPAC name of 1,7-naphthyridine-8-carboxylic acid (CID 67127957) is 1,7-naphthyridine-8-carboxylic acid.
What is the SMILES notation for 1,7-naphthyridine-8-carboxylic acid?
The canonical SMILES for 1,7-naphthyridine-8-carboxylic acid is O=C(O)c1nccc2cccnc12.
What is the InChIKey of 1,7-naphthyridine-8-carboxylic acid?
The InChIKey is ZCJYCEANCAHRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H,12,13).
What are the key properties of 1,7-naphthyridine-8-carboxylic acid?
1,7-naphthyridine-8-carboxylic acid has a molecular weight of 174.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-naphthyridine-8-carboxylic acid is sourced from PubChem (CID 67127957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).