5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid

C10H5Cl2NO3 — CID 10777566

IUPAC5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H5Cl2NO3/c11-4-1-7(12)5-3-6(10(15)16)9(14)13-8(5)2-4/h1-3H,(H,13,14)(H,15,16)
InChIKeyLRMZZFJDSIATLV-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.53
Rot. Bonds1

About 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid

5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 10777566) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID10777566
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H5Cl2NO3/c11-4-1-7(12)5-3-6(10(15)16)9(14)13-8(5)2-4/h1-3H,(H,13,14)(H,15,16)
InChIKeyLRMZZFJDSIATLV-UHFFFAOYSA-N
XLogP2.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid (CID 10777566) is 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]c1=O.
What is the InChIKey of 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is LRMZZFJDSIATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-4-1-7(12)5-3-6(10(15)16)9(14)13-8(5)2-4/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid?
5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 258.06 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 10777566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).