methyl 1-hydroxyquinolin-1-ium-7-carboxylate

C11H10NO3+ — CID 71165366

IUPACmethyl 1-hydroxyquinolin-1-ium-7-carboxylate
SMILESCOC(=O)c1ccc2ccc[n+](O)c2c1
InChIInChI=1S/C11H10NO3/c1-15-11(13)9-5-4-8-3-2-6-12(14)10(8)7-9/h2-7,14H,1H3/q+1
InChIKeyZZYGOUXUZPDEDS-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.15
Rot. Bonds1

About methyl 1-hydroxyquinolin-1-ium-7-carboxylate

methyl 1-hydroxyquinolin-1-ium-7-carboxylate (PubChem CID 71165366) has the molecular formula C11H10NO3+ and a molecular weight of 204.20 g/mol. Its IUPAC name is methyl 1-hydroxyquinolin-1-ium-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxyquinolin-1-ium-7-carboxylate
PubChem CID71165366
Molecular FormulaC11H10NO3+
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Namemethyl 1-hydroxyquinolin-1-ium-7-carboxylate
SMILESCOC(=O)c1ccc2ccc[n+](O)c2c1
InChIInChI=1S/C11H10NO3/c1-15-11(13)9-5-4-8-3-2-6-12(14)10(8)7-9/h2-7,14H,1H3/q+1
InChIKeyZZYGOUXUZPDEDS-UHFFFAOYSA-N
XLogP1.15
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 3-(1-hydroxypyridin-1-ium-2-yl)benzoate
CID 59479374
methyl 3-chloro-1-hydroxyquinolin-1-ium-6-carboxylate
CID 126501545
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 1-methylpyridin-1-ium-3-carboxylate chloride
CID 3084022
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 1-methylpyridin-1-ium-3-carboxylate bromide
CID 117061302
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 1-(trideuteriomethyl)pyridin-1-ium-3-carboxylate
CID 14653361

Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxyquinolin-1-ium-7-carboxylate?
The IUPAC name of methyl 1-hydroxyquinolin-1-ium-7-carboxylate (CID 71165366) is methyl 1-hydroxyquinolin-1-ium-7-carboxylate.
What is the SMILES notation for methyl 1-hydroxyquinolin-1-ium-7-carboxylate?
The canonical SMILES for methyl 1-hydroxyquinolin-1-ium-7-carboxylate is COC(=O)c1ccc2ccc[n+](O)c2c1.
What is the InChIKey of methyl 1-hydroxyquinolin-1-ium-7-carboxylate?
The InChIKey is ZZYGOUXUZPDEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NO3/c1-15-11(13)9-5-4-8-3-2-6-12(14)10(8)7-9/h2-7,14H,1H3/q+1.
What are the key properties of methyl 1-hydroxyquinolin-1-ium-7-carboxylate?
methyl 1-hydroxyquinolin-1-ium-7-carboxylate has a molecular weight of 204.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxyquinolin-1-ium-7-carboxylate is sourced from PubChem (CID 71165366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).