ethane;2-methylpyridine;phenol;yttrium

C14H18NOY- — CID 171083522

IUPACethane;2-methylpyridine;phenol;yttrium
SMILESCC.Cc1ccccn1.Oc1[c-]cccc1.[Y]
InChIInChI=1S/C6H7N.C6H5O.C2H6.Y/c1-6-4-2-3-5-7-6;7-6-4-2-1-3-5-6;1-2;/h2-5H,1H3;1-4,7H;1-2H3;/q;-1;;
InChIKeyKSQYGXIONZTNHQ-UHFFFAOYSA-N
MW305.21 g/mol
LogP3.61
Rot. Bonds

About ethane;2-methylpyridine;phenol;yttrium

ethane;2-methylpyridine;phenol;yttrium (PubChem CID 171083522) has the molecular formula C14H18NOY- and a molecular weight of 305.21 g/mol. Its IUPAC name is ethane;2-methylpyridine;phenol;yttrium.

Molecular Properties

Compound Nameethane;2-methylpyridine;phenol;yttrium
PubChem CID171083522
Molecular FormulaC14H18NOY-
Molecular Weight305.21 g/mol
Exact Mass305.05
IUPAC Nameethane;2-methylpyridine;phenol;yttrium
SMILESCC.Cc1ccccn1.Oc1[c-]cccc1.[Y]
InChIInChI=1S/C6H7N.C6H5O.C2H6.Y/c1-6-4-2-3-5-7-6;7-6-4-2-1-3-5-6;1-2;/h2-5H,1H3;1-4,7H;1-2H3;/q;-1;;
InChIKeyKSQYGXIONZTNHQ-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 53.61
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

iodopalladium(1+);phenol;2-pyridin-2-ylpyridine
CID 54678898
ethane;2-methylpyridine;toluene
CID 143164268
2-methylpyridine;nitric acid
CID 134537856
magnesium;hydride;2-methylpyridine;hydroiodide
CID 174750573
2,2-dimethylpropane;2-methylpyridine
CID 159740552
dibromonickel;2-methylpyridine
CID 159872160
2-methylpyridine;pyridine
CID 19753594
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
butane;2-methylpyridine;propane
CID 171077595
CID 158064055
CID 158064055
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
1,4-dioxane;2-methylpyridine
CID 158048361

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyridine;phenol;yttrium?
The IUPAC name of ethane;2-methylpyridine;phenol;yttrium (CID 171083522) is ethane;2-methylpyridine;phenol;yttrium.
What is the SMILES notation for ethane;2-methylpyridine;phenol;yttrium?
The canonical SMILES for ethane;2-methylpyridine;phenol;yttrium is CC.Cc1ccccn1.Oc1[c-]cccc1.[Y].
What is the InChIKey of ethane;2-methylpyridine;phenol;yttrium?
The InChIKey is KSQYGXIONZTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H5O.C2H6.Y/c1-6-4-2-3-5-7-6;7-6-4-2-1-3-5-6;1-2;/h2-5H,1H3;1-4,7H;1-2H3;/q;-1;;.
What are the key properties of ethane;2-methylpyridine;phenol;yttrium?
ethane;2-methylpyridine;phenol;yttrium has a molecular weight of 305.21 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyridine;phenol;yttrium is sourced from PubChem (CID 171083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).