5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium

C14H10BrF3NY- — CID 160701874

IUPAC5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Br)=C[C-]=C(c2c(F)cc(F)cc2F)N1CC.[Y]
InChIInChI=1S/C14H10BrF3N.Y/c1-3-19-8(2)10(15)4-5-13(19)14-11(17)6-9(16)7-12(14)18;/h4,6-7H,2-3H2,1H3;/q-1;
InChIKeyHROLFDQJTIBJQV-UHFFFAOYSA-N
MW418.05 g/mol
LogP4.37
Rot. Bonds2

About 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium

5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium (PubChem CID 160701874) has the molecular formula C14H10BrF3NY- and a molecular weight of 418.05 g/mol. Its IUPAC name is 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium
PubChem CID160701874
Molecular FormulaC14H10BrF3NY-
Molecular Weight418.05 g/mol
Exact Mass416.90
IUPAC Name5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Br)=C[C-]=C(c2c(F)cc(F)cc2F)N1CC.[Y]
InChIInChI=1S/C14H10BrF3N.Y/c1-3-19-8(2)10(15)4-5-13(19)14-11(17)6-9(16)7-12(14)18;/h4,6-7H,2-3H2,1H3;/q-1;
InChIKeyHROLFDQJTIBJQV-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.05
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium (CID 160701874) is 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium is C=C1C(Br)=C[C-]=C(c2c(F)cc(F)cc2F)N1CC.[Y].
What is the InChIKey of 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium?
The InChIKey is HROLFDQJTIBJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N.Y/c1-3-19-8(2)10(15)4-5-13(19)14-11(17)6-9(16)7-12(14)18;/h4,6-7H,2-3H2,1H3;/q-1;.
What are the key properties of 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium?
5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium has a molecular weight of 418.05 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 160701874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).