6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane

C16H28N2O — CID 143133906

IUPAC6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane
SMILESCC.CC.COc1c(C)cc(C(C)(C)C)nc1C#N
InChIInChI=1S/C12H16N2O.2C2H6/c1-8-6-10(12(2,3)4)14-9(7-13)11(8)15-5;2*1-2/h6H,1-5H3;2*1-2H3
InChIKeyONUBFXSHNDUUPV-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.62
Rot. Bonds1

About 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane

6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane (PubChem CID 143133906) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane.

Molecular Properties

Compound Name6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane
PubChem CID143133906
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane
SMILESCC.CC.COc1c(C)cc(C(C)(C)C)nc1C#N
InChIInChI=1S/C12H16N2O.2C2H6/c1-8-6-10(12(2,3)4)14-9(7-13)11(8)15-5;2*1-2/h6H,1-5H3;2*1-2H3
InChIKeyONUBFXSHNDUUPV-UHFFFAOYSA-N
XLogP4.62
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
CID 153319600
3-bromo-6-tert-butylpyridine-2-carbonitrile;6-tert-butyl-3-(2,4,6-trimethylphenoxy)pyridine-2-carbonitrile
CID 158181451
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile
CID 121251915
6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile
CID 121250670
6-tert-butyl-3-methoxy-4-methylpyridazine
CID 123891644
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
CID 155138707
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962
6-tert-butyl-4-methoxypyridine-3-carbonitrile
CID 82403915
5-cyano-2-methoxy-3-methylbenzoic acid
CID 131074131

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane?
The IUPAC name of 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane (CID 143133906) is 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane.
What is the SMILES notation for 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane?
The canonical SMILES for 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane is CC.CC.COc1c(C)cc(C(C)(C)C)nc1C#N.
What is the InChIKey of 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane?
The InChIKey is ONUBFXSHNDUUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.2C2H6/c1-8-6-10(12(2,3)4)14-9(7-13)11(8)15-5;2*1-2/h6H,1-5H3;2*1-2H3.
What are the key properties of 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane?
6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane has a molecular weight of 264.41 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methoxy-4-methylpyridine-2-carbonitrile;ethane is sourced from PubChem (CID 143133906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).