4-methoxy-2-oxo-1H-pyridine-3-carbonitrile

C7H6N2O2 — CID 2786702

IUPAC4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)
InChIKeyMWGIDWPSRDMIQN-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.26
Rot. Bonds1

About 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile

4-methoxy-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 2786702) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID2786702
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)
InChIKeyMWGIDWPSRDMIQN-UHFFFAOYSA-N
XLogP0.26
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile (CID 2786702) is 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile is COc1cc[nH]c(=O)c1C#N.
What is the InChIKey of 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MWGIDWPSRDMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10).
What are the key properties of 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile?
4-methoxy-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2786702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).