3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium

C8H8F3N2Y- — CID 160530658

IUPAC3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
SMILESC=C1C(C(F)(F)F)=CC(C)=[C-]N1N.[Y]
InChIInChI=1S/C8H8F3N2.Y/c1-5-3-7(8(9,10)11)6(2)13(12)4-5;/h3H,2,12H2,1H3;/q-1;
InChIKeyUVEQCVYOFXZZMI-UHFFFAOYSA-N
MW278.07 g/mol
LogP1.88
Rot. Bonds

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

3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium (PubChem CID 160530658) has the molecular formula C8H8F3N2Y- and a molecular weight of 278.07 g/mol. Its IUPAC name is 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium.

Molecular Properties

Compound Name3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
PubChem CID160530658
Molecular FormulaC8H8F3N2Y-
Molecular Weight278.07 g/mol
Exact Mass277.97
IUPAC Name3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
SMILESC=C1C(C(F)(F)F)=CC(C)=[C-]N1N.[Y]
InChIInChI=1S/C8H8F3N2.Y/c1-5-3-7(8(9,10)11)6(2)13(12)4-5;/h3H,2,12H2,1H3;/q-1;
InChIKeyUVEQCVYOFXZZMI-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-trimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 160667563
N,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 161823291
3-(Difluoromethyl)-5-methyl-2-methylidenepyridin-1-amine
CID 159515003
5-Methyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 160530659
5-fluoro-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147857380
5-(difluoromethyl)-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 159515002
5-fluoro-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 159920056
3,5-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 160498349
5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 160896324
5-(difluoromethyl)-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 161207926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium?
The IUPAC name of 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium (CID 160530658) is 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium.
What is the SMILES notation for 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium?
The canonical SMILES for 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium is C=C1C(C(F)(F)F)=CC(C)=[C-]N1N.[Y].
What is the InChIKey of 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium?
The InChIKey is UVEQCVYOFXZZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N2.Y/c1-5-3-7(8(9,10)11)6(2)13(12)4-5;/h3H,2,12H2,1H3;/q-1;.
What are the key properties of 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium?
3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium has a molecular weight of 278.07 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium is sourced from PubChem (CID 160530658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).