3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile

C10H10N2O2 — CID 69095655

IUPAC3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile
SMILESCOc1nc(C)ccc1C(=O)CC#N
InChIInChI=1S/C10H10N2O2/c1-7-3-4-8(9(13)5-6-11)10(12-7)14-2/h3-4H,5H2,1-2H3
InChIKeyOYTOCPQDCCQMPI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile

3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile (PubChem CID 69095655) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile
PubChem CID69095655
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile
SMILESCOc1nc(C)ccc1C(=O)CC#N
InChIInChI=1S/C10H10N2O2/c1-7-3-4-8(9(13)5-6-11)10(12-7)14-2/h3-4H,5H2,1-2H3
InChIKeyOYTOCPQDCCQMPI-UHFFFAOYSA-N
XLogP1.50
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile?
The IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile (CID 69095655) is 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile is COc1nc(C)ccc1C(=O)CC#N.
What is the InChIKey of 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile?
The InChIKey is OYTOCPQDCCQMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-3-4-8(9(13)5-6-11)10(12-7)14-2/h3-4H,5H2,1-2H3.
What are the key properties of 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile?
3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile has a molecular weight of 190.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-methyl-3-pyridinyl)-3-oxopropanenitrile is sourced from PubChem (CID 69095655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).