8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid

C9H5IN2O3 — CID 102941658

IUPAC8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(I)cncc2c1=O
InChIInChI=1S/C9H5IN2O3/c10-6-3-11-1-4-7(6)12-2-5(8(4)13)9(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKeyDFYFVIVEBHJMMW-UHFFFAOYSA-N
MW316.05 g/mol
LogP1.23
Rot. Bonds1

About 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid

8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid (PubChem CID 102941658) has the molecular formula C9H5IN2O3 and a molecular weight of 316.05 g/mol. Its IUPAC name is 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
PubChem CID102941658
Molecular FormulaC9H5IN2O3
Molecular Weight316.05 g/mol
Exact Mass315.93
IUPAC Name8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(I)cncc2c1=O
InChIInChI=1S/C9H5IN2O3/c10-6-3-11-1-4-7(6)12-2-5(8(4)13)9(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKeyDFYFVIVEBHJMMW-UHFFFAOYSA-N
XLogP1.23
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.05
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 133063787
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
8-bromo-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 103481174
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
4-amino-5-iodopyridine-3-carboxylic acid
CID 71055662
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid
CID 137346140
5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 21497102

Frequently Asked Questions

What is the IUPAC name of 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid (CID 102941658) is 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(I)cncc2c1=O.
What is the InChIKey of 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is DFYFVIVEBHJMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O3/c10-6-3-11-1-4-7(6)12-2-5(8(4)13)9(14)15/h1-3H,(H,12,13)(H,14,15).
What are the key properties of 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 316.05 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 102941658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).