6-methyl-3H-pyridin-3-ide;yttrium(3+)

C6H6NY+2 — CID 21299392

IUPAC6-methyl-3H-pyridin-3-ide;yttrium(3+)
SMILESCc1cc[c-]cn1.[Y+3]
InChIInChI=1S/C6H6N.Y/c1-6-4-2-3-5-7-6;/h2,4-5H,1H3;/q-1;+3
InChIKeyYCDWCTNTALKDGW-UHFFFAOYSA-N
MW181.03 g/mol
LogP1.19
Rot. Bonds

About 6-methyl-3H-pyridin-3-ide;yttrium(3+)

6-methyl-3H-pyridin-3-ide;yttrium(3+) (PubChem CID 21299392) has the molecular formula C6H6NY+2 and a molecular weight of 181.03 g/mol. Its IUPAC name is 6-methyl-3H-pyridin-3-ide;yttrium(3+).

Molecular Properties

Compound Name6-methyl-3H-pyridin-3-ide;yttrium(3+)
PubChem CID21299392
Molecular FormulaC6H6NY+2
Molecular Weight181.03 g/mol
Exact Mass180.95
IUPAC Name6-methyl-3H-pyridin-3-ide;yttrium(3+)
SMILESCc1cc[c-]cn1.[Y+3]
InChIInChI=1S/C6H6N.Y/c1-6-4-2-3-5-7-6;/h2,4-5H,1H3;/q-1;+3
InChIKeyYCDWCTNTALKDGW-UHFFFAOYSA-N
XLogP1.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 51.19
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

zinc;carbanide;6-chloro-3H-pyridin-3-ide
CID 118470127
methylbenzene;yttrium(3+)
CID 22952606
1-(3H-pyridin-3-id-6-yl)ethanone;yttrium
CID 59774747
magnesium;6-ethoxy-3H-pyridin-3-ide;bromide
CID 91657968
lithium 2-methyl-5H-pyrimidin-5-ide
CID 165394783
bromozinc(1+);6-ethoxy-3H-pyridin-3-ide
CID 133144566
3H-pyridin-3-ide-6-carboxylic acid;yttrium
CID 59774757
bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile
CID 131847492
cobalt(3+);methylbenzene
CID 156753430
methylbenzene;zirconium
CID 154186584
hydron;4-methylpyrimidine
CID 174915530
methane;methylbenzene;yttrium
CID 160876865

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3H-pyridin-3-ide;yttrium(3+)?
The IUPAC name of 6-methyl-3H-pyridin-3-ide;yttrium(3+) (CID 21299392) is 6-methyl-3H-pyridin-3-ide;yttrium(3+).
What is the SMILES notation for 6-methyl-3H-pyridin-3-ide;yttrium(3+)?
The canonical SMILES for 6-methyl-3H-pyridin-3-ide;yttrium(3+) is Cc1cc[c-]cn1.[Y+3].
What is the InChIKey of 6-methyl-3H-pyridin-3-ide;yttrium(3+)?
The InChIKey is YCDWCTNTALKDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Y/c1-6-4-2-3-5-7-6;/h2,4-5H,1H3;/q-1;+3.
What are the key properties of 6-methyl-3H-pyridin-3-ide;yttrium(3+)?
6-methyl-3H-pyridin-3-ide;yttrium(3+) has a molecular weight of 181.03 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-pyridin-3-ide;yttrium(3+) is sourced from PubChem (CID 21299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).