1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium

C10H11F3NY- — CID 161375551

IUPAC1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(C(F)(F)F)=CC(C)=[C-]N1CC.[Y]
InChIInChI=1S/C10H11F3N.Y/c1-4-14-6-7(2)5-9(8(14)3)10(11,12)13;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyKTFJBCUOFNDVND-UHFFFAOYSA-N
MW291.11 g/mol
LogP3.03
Rot. Bonds1

About 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium

1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 161375551) has the molecular formula C10H11F3NY- and a molecular weight of 291.11 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
PubChem CID161375551
Molecular FormulaC10H11F3NY-
Molecular Weight291.11 g/mol
Exact Mass290.99
IUPAC Name1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(C(F)(F)F)=CC(C)=[C-]N1CC.[Y]
InChIInChI=1S/C10H11F3N.Y/c1-4-14-6-7(2)5-9(8(14)3)10(11,12)13;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyKTFJBCUOFNDVND-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 53.03
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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Related Compounds

lithium N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine
CID 57534395
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
1-Ethyl-2,4-bis(trifluoromethyl)-1-azacyclohepta-2,4,5-triene
CID 90084212
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium (CID 161375551) is 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium is C=C1C(C(F)(F)F)=CC(C)=[C-]N1CC.[Y].
What is the InChIKey of 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is KTFJBCUOFNDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N.Y/c1-4-14-6-7(2)5-9(8(14)3)10(11,12)13;/h5H,3-4H2,1-2H3;/q-1;.
What are the key properties of 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 291.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 161375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).