2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride

C9H7ClFNO4S — CID 174951735

IUPAC2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride
SMILESCl.O=C1c2ccccc2N=C(F)C1S(=O)(=O)O
InChIInChI=1S/C9H6FNO4S.ClH/c10-9-8(16(13,14)15)7(12)5-3-1-2-4-6(5)11-9;/h1-4,8H,(H,13,14,15);1H
InChIKeyMXPZKNPUNFOMCO-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.56
Rot. Bonds1

About 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride

2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride (PubChem CID 174951735) has the molecular formula C9H7ClFNO4S and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride
PubChem CID174951735
Molecular FormulaC9H7ClFNO4S
Molecular Weight279.68 g/mol
Exact Mass278.98
IUPAC Name2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride
SMILESCl.O=C1c2ccccc2N=C(F)C1S(=O)(=O)O
InChIInChI=1S/C9H6FNO4S.ClH/c10-9-8(16(13,14)15)7(12)5-3-1-2-4-6(5)11-9;/h1-4,8H,(H,13,14,15);1H
InChIKeyMXPZKNPUNFOMCO-UHFFFAOYSA-N
XLogP1.56
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3H-quinoline-3-carboxylic acid;sulfuric acid
CID 172691587
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
2-(3-oxoindol-2-yl)indene-1,3-dione
CID 71426741
3-diazo-1,4-dioxonaphthalene-2-sulfonic acid;phenol
CID 87484129
3-benzyl-2-phenyl-3H-quinolin-4-one
CID 169089991
(3-oxoindol-2-yl) hydrogen carbonate
CID 70554420
sodium;anthracene-9,10-dione;hydride;sulfuric acid
CID 173166702
6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one
CID 3689963
anthracene-9,10-dione;2-(trifluoromethyl)benzenesulfonic acid
CID 175120029
2-(4-bromophenyl)indol-3-one
CID 2312809
3-(aminomethyl)-2-ethyl-3H-quinolin-4-one
CID 152575115
3-[(E)-2-phenylethenyl]-3H-quinolin-4-one
CID 134695074

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride?
The IUPAC name of 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride (CID 174951735) is 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride.
What is the SMILES notation for 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride?
The canonical SMILES for 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride is Cl.O=C1c2ccccc2N=C(F)C1S(=O)(=O)O.
What is the InChIKey of 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride?
The InChIKey is MXPZKNPUNFOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO4S.ClH/c10-9-8(16(13,14)15)7(12)5-3-1-2-4-6(5)11-9;/h1-4,8H,(H,13,14,15);1H.
What are the key properties of 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride?
2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride has a molecular weight of 279.68 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-oxo-3H-quinoline-3-sulfonic acid;hydrochloride is sourced from PubChem (CID 174951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).