6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate

C10H4F2NO3- — CID 7017062

IUPAC6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C10H5F2NO3/c11-6-1-4-8(2-7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)/p-1
InChIKeyURJLZNXCWLEREY-UHFFFAOYSA-M
MW224.14 g/mol
LogP0.17
Rot. Bonds1

About 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate

6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 7017062) has the molecular formula C10H4F2NO3- and a molecular weight of 224.14 g/mol. Its IUPAC name is 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
PubChem CID7017062
Molecular FormulaC10H4F2NO3-
Molecular Weight224.14 g/mol
Exact Mass224.02
IUPAC Name6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C10H5F2NO3/c11-6-1-4-8(2-7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)/p-1
InChIKeyURJLZNXCWLEREY-UHFFFAOYSA-M
XLogP0.17
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 7062046
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311
7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709
1-(5,6-difluoro-1H-indol-3-yl)prop-2-yn-1-one
CID 162444599
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
N-(2,4-ditert-butyl-5-hydroxyphenyl)-6,7-difluoro-4-oxo-1H-quinoline-3-carboxamide
CID 87461618
7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 57254078
7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 614308
sodium 6,7,8-trifluoro-4-oxochromene-3-carboxylate
CID 154878770
5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate (CID 7017062) is 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate is O=C([O-])c1c[nH]c2cc(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is URJLZNXCWLEREY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H5F2NO3/c11-6-1-4-8(2-7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)/p-1.
What are the key properties of 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 224.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 7017062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).