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

C10H5Cl2NO3 — CID 1779

IUPAC5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5Cl2NO3/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)
InChIKeyBGKFPRIGXAVYNX-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.53
Rot. Bonds1

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

5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 1779) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID1779
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5Cl2NO3/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)
InChIKeyBGKFPRIGXAVYNX-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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Related Compounds

CID 173357830
CID 173357830
5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid
CID 15182902
2-(5,7-dichloro-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174765
5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 14842739
7-chloro-6-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017490
6-chloro-4-phenyl-1H-indole-2-carboxylic acid
CID 135358555
7-chloro-5,6,8-trideuterio-4-oxo-1H-quinoline-2-carboxylic acid
CID 140931101
ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735198
3-(3-bromo-4,6-dichloro-1H-indol-2-yl)propanoic acid
CID 54049187
4,5,8-trioxo-1H-quinoline-2-carboxylic acid
CID 72727429
6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione
CID 54732816
6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
CID 135358549

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid (CID 1779) is 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid is 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?
The InChIKey is BGKFPRIGXAVYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/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 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid?
5,7-dichloro-4-oxo-1H-quinoline-2-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-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 1779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).