2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid

C11H5FN2O5 — CID 174553979

IUPAC2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid
SMILESO=C(F)c1ccc2cc([N+](=O)[O-])c(C(=O)O)cc2n1
InChIInChI=1S/C11H5FN2O5/c12-10(15)7-2-1-5-3-9(14(18)19)6(11(16)17)4-8(5)13-7/h1-4H,(H,16,17)
InChIKeyZQQPPIHVTOJRBG-UHFFFAOYSA-N
MW264.17 g/mol
LogP1.95
Rot. Bonds3

About 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid

2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid (PubChem CID 174553979) has the molecular formula C11H5FN2O5 and a molecular weight of 264.17 g/mol. Its IUPAC name is 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid
PubChem CID174553979
Molecular FormulaC11H5FN2O5
Molecular Weight264.17 g/mol
Exact Mass264.02
IUPAC Name2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid
SMILESO=C(F)c1ccc2cc([N+](=O)[O-])c(C(=O)O)cc2n1
InChIInChI=1S/C11H5FN2O5/c12-10(15)7-2-1-5-3-9(14(18)19)6(11(16)17)4-8(5)13-7/h1-4H,(H,16,17)
InChIKeyZQQPPIHVTOJRBG-UHFFFAOYSA-N
XLogP1.95
TPSA110.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-nitro-1,3-benzothiazole-5-carboxylic acid
CID 168943168
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62235219
4-(2,4-dicarboxy-5-nitrobenzoyl)oxycarbonyl-6-nitrobenzene-1,3-dicarboxylic acid
CID 88777503
4-cyano-5-fluoro-2-nitrobenzoic acid
CID 118460991
4-carboxy-3-nitrophenolate
CID 54708016
4-(difluoromethyl)-5-fluoro-2-nitrobenzoic acid
CID 131417827
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026
CID 131882464
CID 131882464
5-[(3-carboxy-4-nitrophenyl)methyl]-2-nitrobenzoic acid
CID 177311055
5-[(3-carboxy-4-nitrophenyl)diselanyl]-2-nitrobenzoic acid
CID 51354468

Frequently Asked Questions

What is the IUPAC name of 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid?
The IUPAC name of 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid (CID 174553979) is 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid.
What is the SMILES notation for 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid?
The canonical SMILES for 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid is O=C(F)c1ccc2cc([N+](=O)[O-])c(C(=O)O)cc2n1.
What is the InChIKey of 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid?
The InChIKey is ZQQPPIHVTOJRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5FN2O5/c12-10(15)7-2-1-5-3-9(14(18)19)6(11(16)17)4-8(5)13-7/h1-4H,(H,16,17).
What are the key properties of 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid?
2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid has a molecular weight of 264.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid is sourced from PubChem (CID 174553979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).