ethane;methoxymethane;5-methylpyridine-2-carbonitrile

C11H18N2O — CID 176990243

IUPACethane;methoxymethane;5-methylpyridine-2-carbonitrile
SMILESCC.COC.Cc1ccc(C#N)nc1
InChIInChI=1S/C7H6N2.C2H6O.C2H6/c1-6-2-3-7(4-8)9-5-6;1-3-2;1-2/h2-3,5H,1H3;1-2H3;1-2H3
InChIKeyKYSKLKWQSPTZNN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.55
Rot. Bonds

About ethane;methoxymethane;5-methylpyridine-2-carbonitrile

ethane;methoxymethane;5-methylpyridine-2-carbonitrile (PubChem CID 176990243) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;methoxymethane;5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;methoxymethane;5-methylpyridine-2-carbonitrile
PubChem CID176990243
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;methoxymethane;5-methylpyridine-2-carbonitrile
SMILESCC.COC.Cc1ccc(C#N)nc1
InChIInChI=1S/C7H6N2.C2H6O.C2H6/c1-6-2-3-7(4-8)9-5-6;1-3-2;1-2/h2-3,5H,1H3;1-2H3;1-2H3
InChIKeyKYSKLKWQSPTZNN-UHFFFAOYSA-N
XLogP2.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methylpyridine-2-carbonitrile
CID 143546182
ethane;5-methanidylpyridine-2-carbonitrile;yttrium
CID 169217341
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CID 115487645
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
acetylene;2-bromo-5-methylpyridine;copper(1+);deuterio(fluoro)methane;methane;5-methylpyridine-2-carbonitrile;cyanide
CID 158964699
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile
CID 167549650
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
3-(5-methyl-2-pyridinyl)prop-2-yne-1-thiol
CID 169486018
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;5-methylpyridine-2-carbonitrile?
The IUPAC name of ethane;methoxymethane;5-methylpyridine-2-carbonitrile (CID 176990243) is ethane;methoxymethane;5-methylpyridine-2-carbonitrile.
What is the SMILES notation for ethane;methoxymethane;5-methylpyridine-2-carbonitrile?
The canonical SMILES for ethane;methoxymethane;5-methylpyridine-2-carbonitrile is CC.COC.Cc1ccc(C#N)nc1.
What is the InChIKey of ethane;methoxymethane;5-methylpyridine-2-carbonitrile?
The InChIKey is KYSKLKWQSPTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H6O.C2H6/c1-6-2-3-7(4-8)9-5-6;1-3-2;1-2/h2-3,5H,1H3;1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;5-methylpyridine-2-carbonitrile?
ethane;methoxymethane;5-methylpyridine-2-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 176990243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).