carbonyl dichloride;quinoline-3-carboxylic acid

C11H7Cl2NO3 — CID 175289113

IUPACcarbonyl dichloride;quinoline-3-carboxylic acid
SMILESO=C(Cl)Cl.O=C(O)c1cnc2ccccc2c1
InChIInChI=1S/C10H7NO2.CCl2O/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;2-1(3)4/h1-6H,(H,12,13);
InChIKeyGZTYFDBWRFQUNY-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.52
Rot. Bonds1

About carbonyl dichloride;quinoline-3-carboxylic acid

carbonyl dichloride;quinoline-3-carboxylic acid (PubChem CID 175289113) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is carbonyl dichloride;quinoline-3-carboxylic acid.

Molecular Properties

Compound Namecarbonyl dichloride;quinoline-3-carboxylic acid
PubChem CID175289113
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Namecarbonyl dichloride;quinoline-3-carboxylic acid
SMILESO=C(Cl)Cl.O=C(O)c1cnc2ccccc2c1
InChIInChI=1S/C10H7NO2.CCl2O/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;2-1(3)4/h1-6H,(H,12,13);
InChIKeyGZTYFDBWRFQUNY-UHFFFAOYSA-N
XLogP3.52
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
CID 19079187
quinoline-3-carboxylate
CID 4608508
quinoline-3-carboxamide;hydrofluoride
CID 174911514
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
6-chloroquinoline-3-carboxylic acid
CID 14241492
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid
CID 174934752
(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid
CID 170871584
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;quinoline-3-carboxylic acid?
The IUPAC name of carbonyl dichloride;quinoline-3-carboxylic acid (CID 175289113) is carbonyl dichloride;quinoline-3-carboxylic acid.
What is the SMILES notation for carbonyl dichloride;quinoline-3-carboxylic acid?
The canonical SMILES for carbonyl dichloride;quinoline-3-carboxylic acid is O=C(Cl)Cl.O=C(O)c1cnc2ccccc2c1.
What is the InChIKey of carbonyl dichloride;quinoline-3-carboxylic acid?
The InChIKey is GZTYFDBWRFQUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.CCl2O/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;2-1(3)4/h1-6H,(H,12,13);.
What are the key properties of carbonyl dichloride;quinoline-3-carboxylic acid?
carbonyl dichloride;quinoline-3-carboxylic acid has a molecular weight of 272.09 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;quinoline-3-carboxylic acid is sourced from PubChem (CID 175289113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).