4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium

C7H6FN2O2Y- — CID 147423213

IUPAC4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium
SMILESCc1c(C(=O)O)n[c-]c(F)c1N.[Y]
InChIInChI=1S/C7H6FN2O2.Y/c1-3-5(9)4(8)2-10-6(3)7(11)12;/h1H3,(H2,9,10)(H,11,12);/q-1;
InChIKeyKQHFMUVYZJWMNH-UHFFFAOYSA-N
MW258.04 g/mol
LogP0.61
Rot. Bonds1

About 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium

4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium (PubChem CID 147423213) has the molecular formula C7H6FN2O2Y- and a molecular weight of 258.04 g/mol. Its IUPAC name is 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium.

Molecular Properties

Compound Name4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium
PubChem CID147423213
Molecular FormulaC7H6FN2O2Y-
Molecular Weight258.04 g/mol
Exact Mass257.95
IUPAC Name4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium
SMILESCc1c(C(=O)O)n[c-]c(F)c1N.[Y]
InChIInChI=1S/C7H6FN2O2.Y/c1-3-5(9)4(8)2-10-6(3)7(11)12;/h1H3,(H2,9,10)(H,11,12);/q-1;
InChIKeyKQHFMUVYZJWMNH-UHFFFAOYSA-N
XLogP0.61
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.04
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium?
The IUPAC name of 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium (CID 147423213) is 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium.
What is the SMILES notation for 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium?
The canonical SMILES for 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium is Cc1c(C(=O)O)n[c-]c(F)c1N.[Y].
What is the InChIKey of 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium?
The InChIKey is KQHFMUVYZJWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN2O2.Y/c1-3-5(9)4(8)2-10-6(3)7(11)12;/h1H3,(H2,9,10)(H,11,12);/q-1;.
What are the key properties of 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium?
4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium has a molecular weight of 258.04 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-5-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium is sourced from PubChem (CID 147423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).