2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile

C12H14N2O2 — CID 115030634

IUPAC2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile
SMILESCOc1nc(C2CCCOC2)ccc1C#N
InChIInChI=1S/C12H14N2O2/c1-15-12-9(7-13)4-5-11(14-12)10-3-2-6-16-8-10/h4-5,10H,2-3,6,8H2,1H3
InChIKeyIEHUTKHBDTXVIS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.86
Rot. Bonds2

About 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile

2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile (PubChem CID 115030634) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile
PubChem CID115030634
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile
SMILESCOc1nc(C2CCCOC2)ccc1C#N
InChIInChI=1S/C12H14N2O2/c1-15-12-9(7-13)4-5-11(14-12)10-3-2-6-16-8-10/h4-5,10H,2-3,6,8H2,1H3
InChIKeyIEHUTKHBDTXVIS-UHFFFAOYSA-N
XLogP1.86
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine
CID 115033407
3-methyl-2-(oxan-3-yl)benzimidazole-5-carbonitrile
CID 113444337
3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile
CID 172993518
2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile
CID 130247545
5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 65484248
3-methyl-4-(oxan-3-yl)benzonitrile
CID 146347035
6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile
CID 162439983
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 66808582
8-methoxy-6-methyl-3-(oxan-3-yl)imidazo[1,5-a]pyrazine
CID 122652357
3-(oxan-3-yl)benzonitrile
CID 175490796
6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile
CID 162523734

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile (CID 115030634) is 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile is COc1nc(C2CCCOC2)ccc1C#N.
What is the InChIKey of 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile?
The InChIKey is IEHUTKHBDTXVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-12-9(7-13)4-5-11(14-12)10-3-2-6-16-8-10/h4-5,10H,2-3,6,8H2,1H3.
What are the key properties of 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile?
2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115030634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).