5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

C9H11F2N2Y- — CID 160896324

IUPAC5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC=C1C(C(F)F)=CC(C)=[C-]N1NC.[Y]
InChIInChI=1S/C9H11F2N2.Y/c1-6-4-8(9(10)11)7(2)13(5-6)12-3;/h4,9,12H,2H2,1,3H3;/q-1;
InChIKeyFEQVEUAVWAKQNT-UHFFFAOYSA-N
MW274.10 g/mol
LogP1.85
Rot. Bonds2

About 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (PubChem CID 160896324) has the molecular formula C9H11F2N2Y- and a molecular weight of 274.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.

Molecular Properties

Compound Name5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
PubChem CID160896324
Molecular FormulaC9H11F2N2Y-
Molecular Weight274.10 g/mol
Exact Mass274.00
IUPAC Name5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC=C1C(C(F)F)=CC(C)=[C-]N1NC.[Y]
InChIInChI=1S/C9H11F2N2.Y/c1-6-4-8(9(10)11)7(2)13(5-6)12-3;/h4,9,12H,2H2,1,3H3;/q-1;
InChIKeyFEQVEUAVWAKQNT-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 160530658
N,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 161823291
3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
3-(Difluoromethyl)-5-methyl-2-methylidenepyridin-1-amine
CID 159515003
5-Methyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 160530659
3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 160896325
N,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 161823292
1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
CID 162609670
5-fluoro-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147857380
N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 158408414
5-(difluoromethyl)-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 159515002
N,3,5-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 161134978

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The IUPAC name of 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (CID 160896324) is 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.
What is the SMILES notation for 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The canonical SMILES for 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is C=C1C(C(F)F)=CC(C)=[C-]N1NC.[Y].
What is the InChIKey of 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The InChIKey is FEQVEUAVWAKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N2.Y/c1-6-4-8(9(10)11)7(2)13(5-6)12-3;/h4,9,12H,2H2,1,3H3;/q-1;.
What are the key properties of 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium has a molecular weight of 274.10 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is sourced from PubChem (CID 160896324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).