5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

C9H12BrN2Y- — CID 159984984

IUPAC5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1N(C)C.[Y]
InChIInChI=1S/C9H12BrN2.Y/c1-7-5-9(10)8(2)12(6-7)11(3)4;/h5H,2H2,1,3-4H3;/q-1;
InChIKeyDKSVXLLBLQMCGU-UHFFFAOYSA-N
MW317.02 g/mol
LogP2.28
Rot. Bonds1

About 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium

5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (PubChem CID 159984984) has the molecular formula C9H12BrN2Y- and a molecular weight of 317.02 g/mol. Its IUPAC name is 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.

Molecular Properties

Compound Name5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
PubChem CID159984984
Molecular FormulaC9H12BrN2Y-
Molecular Weight317.02 g/mol
Exact Mass315.92
IUPAC Name5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1N(C)C.[Y]
InChIInChI=1S/C9H12BrN2.Y/c1-7-5-9(10)8(2)12(6-7)11(3)4;/h5H,2H2,1,3-4H3;/q-1;
InChIKeyDKSVXLLBLQMCGU-UHFFFAOYSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147491046
5-bromo-1,3-dimethyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 148863106
N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 149050398
5-fluoro-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 158083782
5-bromo-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 158154541
5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 158963657
N,N,3,5-tetramethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 159654490
5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium
CID 161309551
3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 159984985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The IUPAC name of 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium (CID 159984984) is 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium.
What is the SMILES notation for 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The canonical SMILES for 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is C=C1C(Br)=CC(C)=[C-]N1N(C)C.[Y].
What is the InChIKey of 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
The InChIKey is DKSVXLLBLQMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN2.Y/c1-7-5-9(10)8(2)12(6-7)11(3)4;/h5H,2H2,1,3-4H3;/q-1;.
What are the key properties of 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium?
5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium has a molecular weight of 317.02 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium is sourced from PubChem (CID 159984984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).