2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile

C12H14N2O — CID 104823815

IUPAC2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile
SMILESCc1ccc(C2OCCCC2C#N)cn1
InChIInChI=1S/C12H14N2O/c1-9-4-5-11(8-14-9)12-10(7-13)3-2-6-15-12/h4-5,8,10,12H,2-3,6H2,1H3
InChIKeyAFQDGBXDEMKLLR-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds1

About 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile

2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile (PubChem CID 104823815) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile
PubChem CID104823815
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile
SMILESCc1ccc(C2OCCCC2C#N)cn1
InChIInChI=1S/C12H14N2O/c1-9-4-5-11(8-14-9)12-10(7-13)3-2-6-15-12/h4-5,8,10,12H,2-3,6H2,1H3
InChIKeyAFQDGBXDEMKLLR-UHFFFAOYSA-N
XLogP2.38
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
CID 104824119
(2S,3R)-2-(4-methylphenyl)oxolane-3-carbonitrile
CID 102375456
2-(furan-2-yl)oxane-3-carbonitrile
CID 11052195
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-quinolin-2-yloxane-3-carbonitrile
CID 79368028
2-(3-propylimidazol-4-yl)oxane-3-carbonitrile
CID 79368493
2-(3-bromothiophen-2-yl)oxane-3-carbonitrile
CID 115381432
5-(aziridin-2-yl)-2-methylpyridine
CID 129016898
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxane-3-carbonitrile
CID 64509043
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
2-fluoro-5-(oxolan-2-yl)pyridine
CID 138978454
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile?
The IUPAC name of 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile (CID 104823815) is 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile is Cc1ccc(C2OCCCC2C#N)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile?
The InChIKey is AFQDGBXDEMKLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-5-11(8-14-9)12-10(7-13)3-2-6-15-12/h4-5,8,10,12H,2-3,6H2,1H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile?
2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)oxane-3-carbonitrile is sourced from PubChem (CID 104823815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).