2H-1,8-naphthyridine-1-carboxylic acid

C9H8N2O2 — CID 67451828

IUPAC2H-1,8-naphthyridine-1-carboxylic acid
SMILESO=C(O)N1CC=Cc2cccnc21
InChIInChI=1S/C9H8N2O2/c12-9(13)11-6-2-4-7-3-1-5-10-8(7)11/h1-5H,6H2,(H,12,13)
InChIKeyMBQIAXJKVVWCEP-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.59
Rot. Bonds

About 2H-1,8-naphthyridine-1-carboxylic acid

2H-1,8-naphthyridine-1-carboxylic acid (PubChem CID 67451828) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2H-1,8-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name2H-1,8-naphthyridine-1-carboxylic acid
PubChem CID67451828
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2H-1,8-naphthyridine-1-carboxylic acid
SMILESO=C(O)N1CC=Cc2cccnc21
InChIInChI=1S/C9H8N2O2/c12-9(13)11-6-2-4-7-3-1-5-10-8(7)11/h1-5H,6H2,(H,12,13)
InChIKeyMBQIAXJKVVWCEP-UHFFFAOYSA-N
XLogP1.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1,8-naphthyridine-1-carboxylic acid?
The IUPAC name of 2H-1,8-naphthyridine-1-carboxylic acid (CID 67451828) is 2H-1,8-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 2H-1,8-naphthyridine-1-carboxylic acid?
The canonical SMILES for 2H-1,8-naphthyridine-1-carboxylic acid is O=C(O)N1CC=Cc2cccnc21.
What is the InChIKey of 2H-1,8-naphthyridine-1-carboxylic acid?
The InChIKey is MBQIAXJKVVWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)11-6-2-4-7-3-1-5-10-8(7)11/h1-5H,6H2,(H,12,13).
What are the key properties of 2H-1,8-naphthyridine-1-carboxylic acid?
2H-1,8-naphthyridine-1-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,8-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 67451828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).