5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate

C10H7Cl2NO4 — CID 23723057

IUPAC5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5Cl2NO3.H2O/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);1H2
InChIKeyREADYYZXDSXRQJ-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.71
Rot. Bonds1

About 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate

5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate (PubChem CID 23723057) has the molecular formula C10H7Cl2NO4 and a molecular weight of 276.07 g/mol. Its IUPAC name is 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate.

Molecular Properties

Compound Name5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate
PubChem CID23723057
Molecular FormulaC10H7Cl2NO4
Molecular Weight276.07 g/mol
Exact Mass274.98
IUPAC Name5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5Cl2NO3.H2O/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);1H2
InChIKeyREADYYZXDSXRQJ-UHFFFAOYSA-N
XLogP1.71
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
The IUPAC name of 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate (CID 23723057) is 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate.
What is the SMILES notation for 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
The canonical SMILES for 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate is O.O=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
The InChIKey is READYYZXDSXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3.H2O/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);1H2.
What are the key properties of 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate has a molecular weight of 276.07 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate is sourced from PubChem (CID 23723057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).