1,8-naphthyridine-2-carboxylic acid;hydrate

C9H8N2O3 — CID 20849939

IUPAC1,8-naphthyridine-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1ccc2cccnc2n1
InChIInChI=1S/C9H6N2O2.H2O/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7;/h1-5H,(H,12,13);1H2
InChIKeyRIOJMBIHKYTBDX-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.50
Rot. Bonds1

About 1,8-naphthyridine-2-carboxylic acid;hydrate

1,8-naphthyridine-2-carboxylic acid;hydrate (PubChem CID 20849939) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1,8-naphthyridine-2-carboxylic acid;hydrate.

Molecular Properties

Compound Name1,8-naphthyridine-2-carboxylic acid;hydrate
PubChem CID20849939
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name1,8-naphthyridine-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1ccc2cccnc2n1
InChIInChI=1S/C9H6N2O2.H2O/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7;/h1-5H,(H,12,13);1H2
InChIKeyRIOJMBIHKYTBDX-UHFFFAOYSA-N
XLogP0.50
TPSA94.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.50
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;hydrate?
The IUPAC name of 1,8-naphthyridine-2-carboxylic acid;hydrate (CID 20849939) is 1,8-naphthyridine-2-carboxylic acid;hydrate.
What is the SMILES notation for 1,8-naphthyridine-2-carboxylic acid;hydrate?
The canonical SMILES for 1,8-naphthyridine-2-carboxylic acid;hydrate is O.O=C(O)c1ccc2cccnc2n1.
What is the InChIKey of 1,8-naphthyridine-2-carboxylic acid;hydrate?
The InChIKey is RIOJMBIHKYTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2.H2O/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7;/h1-5H,(H,12,13);1H2.
What are the key properties of 1,8-naphthyridine-2-carboxylic acid;hydrate?
1,8-naphthyridine-2-carboxylic acid;hydrate has a molecular weight of 192.17 g/mol, XLogP of 0.50, 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;hydrate is sourced from PubChem (CID 20849939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).