10-methylacridin-10-ium-9-carboxylic acid;yttrium

C15H12NO2Y+ — CID 167515495

IUPAC10-methylacridin-10-ium-9-carboxylic acid;yttrium
SMILESC[n+]1c2ccccc2c(C(=O)O)c2ccccc21.[Y]
InChIInChI=1S/C15H11NO2.Y/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16;/h2-9H,1H3;/p+1
InChIKeyRPJKZZJBOZMABF-UHFFFAOYSA-O
MW327.17 g/mol
LogP2.51
Rot. Bonds1

About 10-methylacridin-10-ium-9-carboxylic acid;yttrium

10-methylacridin-10-ium-9-carboxylic acid;yttrium (PubChem CID 167515495) has the molecular formula C15H12NO2Y+ and a molecular weight of 327.17 g/mol. Its IUPAC name is 10-methylacridin-10-ium-9-carboxylic acid;yttrium.

Molecular Properties

Compound Name10-methylacridin-10-ium-9-carboxylic acid;yttrium
PubChem CID167515495
Molecular FormulaC15H12NO2Y+
Molecular Weight327.17 g/mol
Exact Mass326.99
IUPAC Name10-methylacridin-10-ium-9-carboxylic acid;yttrium
SMILESC[n+]1c2ccccc2c(C(=O)O)c2ccccc21.[Y]
InChIInChI=1S/C15H11NO2.Y/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16;/h2-9H,1H3;/p+1
InChIKeyRPJKZZJBOZMABF-UHFFFAOYSA-O
XLogP2.51
TPSA41.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-10-methyl-1-phenylacridin-10-ium-9-carboxylic acid
CID 140979144
benzyl 2-(10-methylacridin-10-ium-9-yl)-2-oxoacetate
CID 89172589
(4-methylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 162192051
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-2-phenylquinolin-1-ium-4-carboxylic acid
CID 154095058
(4-chlorophenyl) 10-methylacridin-10-ium-9-carboxylate
CID 4090268
methyl 10-methylacridin-10-ium-9-carboxylate;methyl sulfate
CID 12813998
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
CID 44581611
(2-ethylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 102474340
1,3,10-trimethylacridin-10-ium-9-carboxylate
CID 23057245
2-methoxy-1-methylquinolin-1-ium-4-carboxylic acid iodide
CID 44889904
2-[(10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]acetic acid
CID 22013521
1-[4-(2-cyanoethyl)-2,6-dimethylphenyl]-10-methylacridin-10-ium-9-carboxylic acid
CID 54514808

Frequently Asked Questions

What is the IUPAC name of 10-methylacridin-10-ium-9-carboxylic acid;yttrium?
The IUPAC name of 10-methylacridin-10-ium-9-carboxylic acid;yttrium (CID 167515495) is 10-methylacridin-10-ium-9-carboxylic acid;yttrium.
What is the SMILES notation for 10-methylacridin-10-ium-9-carboxylic acid;yttrium?
The canonical SMILES for 10-methylacridin-10-ium-9-carboxylic acid;yttrium is C[n+]1c2ccccc2c(C(=O)O)c2ccccc21.[Y].
What is the InChIKey of 10-methylacridin-10-ium-9-carboxylic acid;yttrium?
The InChIKey is RPJKZZJBOZMABF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11NO2.Y/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16;/h2-9H,1H3;/p+1.
What are the key properties of 10-methylacridin-10-ium-9-carboxylic acid;yttrium?
10-methylacridin-10-ium-9-carboxylic acid;yttrium has a molecular weight of 327.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylacridin-10-ium-9-carboxylic acid;yttrium is sourced from PubChem (CID 167515495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).