7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid

C10H5ClINO3 — CID 10066423

IUPAC7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(I)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5ClINO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKeyYXXRRQFCBIAGLD-UHFFFAOYSA-N
MW349.51 g/mol
LogP2.48
Rot. Bonds1

About 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid

7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 10066423) has the molecular formula C10H5ClINO3 and a molecular weight of 349.51 g/mol. Its IUPAC name is 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID10066423
Molecular FormulaC10H5ClINO3
Molecular Weight349.51 g/mol
Exact Mass348.90
IUPAC Name7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(I)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5ClINO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKeyYXXRRQFCBIAGLD-UHFFFAOYSA-N
XLogP2.48
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid (CID 10066423) is 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2c(I)cc(Cl)cc2[nH]1.
What is the InChIKey of 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is YXXRRQFCBIAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClINO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 349.51 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 10066423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).