methyl 2H-pyridin-2-ide-5-carboxylate;yttrium

C7H6NO2Y- — CID 167711301

IUPACmethyl 2H-pyridin-2-ide-5-carboxylate;yttrium
SMILESCOC(=O)c1cc[c-]nc1.[Y]
InChIInChI=1S/C7H6NO2.Y/c1-10-7(9)6-3-2-4-8-5-6;/h2-3,5H,1H3;/q-1;
InChIKeyAUKPPCDXQJQYPA-UHFFFAOYSA-N
MW225.04 g/mol
LogP0.67
Rot. Bonds1

About methyl 2H-pyridin-2-ide-5-carboxylate;yttrium

methyl 2H-pyridin-2-ide-5-carboxylate;yttrium (PubChem CID 167711301) has the molecular formula C7H6NO2Y- and a molecular weight of 225.04 g/mol. Its IUPAC name is methyl 2H-pyridin-2-ide-5-carboxylate;yttrium.

Molecular Properties

Compound Namemethyl 2H-pyridin-2-ide-5-carboxylate;yttrium
PubChem CID167711301
Molecular FormulaC7H6NO2Y-
Molecular Weight225.04 g/mol
Exact Mass224.95
IUPAC Namemethyl 2H-pyridin-2-ide-5-carboxylate;yttrium
SMILESCOC(=O)c1cc[c-]nc1.[Y]
InChIInChI=1S/C7H6NO2.Y/c1-10-7(9)6-3-2-4-8-5-6;/h2-3,5H,1H3;/q-1;
InChIKeyAUKPPCDXQJQYPA-UHFFFAOYSA-N
XLogP0.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methoxy-3H-azepine-6-carboxylate
CID 13225919
ethyl 2H-pyridin-2-ide-5-carboxylate;tungsten
CID 57855547
2H-pyridin-2-ide-5-carboxylic acid;yttrium
CID 59093786
methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876406
methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876413
Methyl 2-[(methylideneamino)methylidene]pent-3-enoate
CID 123258767
Methyl 2-methylidene-5-propyliminopent-3-enoate
CID 123424378
methyl (Z)-2-methylidene-5-methyliminopent-3-enoate
CID 155472196
methyl (Z)-5-ethylimino-2-methylidenepent-3-enoate
CID 155472197
chlorozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
CID 156248083
potassium methyl 2H-pyridin-2-ide-5-carboxylate
CID 174496363
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730

Frequently Asked Questions

What is the IUPAC name of methyl 2H-pyridin-2-ide-5-carboxylate;yttrium?
The IUPAC name of methyl 2H-pyridin-2-ide-5-carboxylate;yttrium (CID 167711301) is methyl 2H-pyridin-2-ide-5-carboxylate;yttrium.
What is the SMILES notation for methyl 2H-pyridin-2-ide-5-carboxylate;yttrium?
The canonical SMILES for methyl 2H-pyridin-2-ide-5-carboxylate;yttrium is COC(=O)c1cc[c-]nc1.[Y].
What is the InChIKey of methyl 2H-pyridin-2-ide-5-carboxylate;yttrium?
The InChIKey is AUKPPCDXQJQYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.Y/c1-10-7(9)6-3-2-4-8-5-6;/h2-3,5H,1H3;/q-1;.
What are the key properties of methyl 2H-pyridin-2-ide-5-carboxylate;yttrium?
methyl 2H-pyridin-2-ide-5-carboxylate;yttrium has a molecular weight of 225.04 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-pyridin-2-ide-5-carboxylate;yttrium is sourced from PubChem (CID 167711301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).