1,8-naphthyridine-2-carboxylic acid

C9H6N2O2 — CID 735156

IUPAC1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2cccnc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13)
InChIKeySNLMOXFUCILIPL-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.33
Rot. Bonds1

About 1,8-naphthyridine-2-carboxylic acid

1,8-naphthyridine-2-carboxylic acid (PubChem CID 735156) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,8-naphthyridine-2-carboxylic acid
PubChem CID735156
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2cccnc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13)
InChIKeySNLMOXFUCILIPL-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 1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 1,8-naphthyridine-2-carboxylic acid (CID 735156) is 1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 1,8-naphthyridine-2-carboxylic acid is O=C(O)c1ccc2cccnc2n1.
What is the InChIKey of 1,8-naphthyridine-2-carboxylic acid?
The InChIKey is SNLMOXFUCILIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13).
What are the key properties of 1,8-naphthyridine-2-carboxylic acid?
1,8-naphthyridine-2-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 1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 735156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).