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

C7H8N2O — CID 151205219

IUPAC1-methoxy-2H-pyridine-4-carbonitrile
SMILESCON1C=CC(C#N)=CC1
InChIInChI=1S/C7H8N2O/c1-10-9-4-2-7(6-8)3-5-9/h2-4H,5H2,1H3
InChIKeyNJDDRDPGOQRULI-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.83
Rot. Bonds1

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

1-methoxy-2H-pyridine-4-carbonitrile (PubChem CID 151205219) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-methoxy-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methoxy-2H-pyridine-4-carbonitrile
PubChem CID151205219
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-methoxy-2H-pyridine-4-carbonitrile
SMILESCON1C=CC(C#N)=CC1
InChIInChI=1S/C7H8N2O/c1-10-9-4-2-7(6-8)3-5-9/h2-4H,5H2,1H3
InChIKeyNJDDRDPGOQRULI-UHFFFAOYSA-N
XLogP0.83
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-methoxy-2H-pyridine-4-carbonitrile (CID 151205219) is 1-methoxy-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-methoxy-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-methoxy-2H-pyridine-4-carbonitrile is CON1C=CC(C#N)=CC1.
What is the InChIKey of 1-methoxy-2H-pyridine-4-carbonitrile?
The InChIKey is NJDDRDPGOQRULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-10-9-4-2-7(6-8)3-5-9/h2-4H,5H2,1H3.
What are the key properties of 1-methoxy-2H-pyridine-4-carbonitrile?
1-methoxy-2H-pyridine-4-carbonitrile has a molecular weight of 136.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 151205219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).