7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium

C7H3ClN3O2Y- — CID 156836325

IUPAC7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium
SMILESO=c1[nH]c(=O)c2c[c-]c(Cl)nc2[nH]1.[Y]
InChIInChI=1S/C7H3ClN3O2.Y/c8-4-2-1-3-5(9-4)10-7(13)11-6(3)12;/h1H,(H2,9,10,11,12,13);/q-1;
InChIKeyJIBOQXSUVOFOMN-UHFFFAOYSA-N
MW285.48 g/mol
LogP0.06
Rot. Bonds

About 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium

7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium (PubChem CID 156836325) has the molecular formula C7H3ClN3O2Y- and a molecular weight of 285.48 g/mol. Its IUPAC name is 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium.

Molecular Properties

Compound Name7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium
PubChem CID156836325
Molecular FormulaC7H3ClN3O2Y-
Molecular Weight285.48 g/mol
Exact Mass284.90
IUPAC Name7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium
SMILESO=c1[nH]c(=O)c2c[c-]c(Cl)nc2[nH]1.[Y]
InChIInChI=1S/C7H3ClN3O2.Y/c8-4-2-1-3-5(9-4)10-7(13)11-6(3)12;/h1H,(H2,9,10,11,12,13);/q-1;
InChIKeyJIBOQXSUVOFOMN-UHFFFAOYSA-N
XLogP0.06
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium?
The IUPAC name of 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium (CID 156836325) is 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium.
What is the SMILES notation for 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium?
The canonical SMILES for 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium is O=c1[nH]c(=O)c2c[c-]c(Cl)nc2[nH]1.[Y].
What is the InChIKey of 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium?
The InChIKey is JIBOQXSUVOFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN3O2.Y/c8-4-2-1-3-5(9-4)10-7(13)11-6(3)12;/h1H,(H2,9,10,11,12,13);/q-1;.
What are the key properties of 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium?
7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium has a molecular weight of 285.48 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,6-dihydropyrido[2,3-d]pyrimidin-6-ide-2,4-dione;yttrium is sourced from PubChem (CID 156836325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).