1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium

C9H9F3NY- — CID 158142944

IUPAC1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(C(F)(F)F)=CC(C)=[C-]N1C.[Y]
InChIInChI=1S/C9H9F3N.Y/c1-6-4-8(9(10,11)12)7(2)13(3)5-6;/h4H,2H2,1,3H3;/q-1;
InChIKeyRUHSBHJXTJWZJE-UHFFFAOYSA-N
MW277.08 g/mol
LogP2.64
Rot. Bonds

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

1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 158142944) has the molecular formula C9H9F3NY- and a molecular weight of 277.08 g/mol. Its IUPAC name is 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
PubChem CID158142944
Molecular FormulaC9H9F3NY-
Molecular Weight277.08 g/mol
Exact Mass276.98
IUPAC Name1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(C(F)(F)F)=CC(C)=[C-]N1C.[Y]
InChIInChI=1S/C9H9F3N.Y/c1-6-4-8(9(10,11)12)7(2)13(3)5-6;/h4H,2H2,1,3H3;/q-1;
InChIKeyRUHSBHJXTJWZJE-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.64
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
magnesium;N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine;bromide
CID 57534410
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
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,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
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
CID 129041662
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
3-iodo-1,4-dimethyl-6-(trifluoromethyl)-2H-pyridine
CID 140105977

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium (CID 158142944) is 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium is C=C1C(C(F)(F)F)=CC(C)=[C-]N1C.[Y].
What is the InChIKey of 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is RUHSBHJXTJWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N.Y/c1-6-4-8(9(10,11)12)7(2)13(3)5-6;/h4H,2H2,1,3H3;/q-1;.
What are the key properties of 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium?
1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 277.08 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 158142944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).