4-methoxypyridine-3-carbonitrile

C7H6N2O — CID 2755887

IUPAC4-methoxypyridine-3-carbonitrile
SMILESCOc1ccncc1C#N
InChIInChI=1S/C7H6N2O/c1-10-7-2-3-9-5-6(7)4-8/h2-3,5H,1H3
InChIKeyRTVZZFXJASCNCE-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.96
Rot. Bonds1

About 4-methoxypyridine-3-carbonitrile

4-methoxypyridine-3-carbonitrile (PubChem CID 2755887) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxypyridine-3-carbonitrile
PubChem CID2755887
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name4-methoxypyridine-3-carbonitrile
SMILESCOc1ccncc1C#N
InChIInChI=1S/C7H6N2O/c1-10-7-2-3-9-5-6(7)4-8/h2-3,5H,1H3
InChIKeyRTVZZFXJASCNCE-UHFFFAOYSA-N
XLogP0.96
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-methoxypyridine-3-carbonitrile (CID 2755887) is 4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-methoxypyridine-3-carbonitrile is COc1ccncc1C#N.
What is the InChIKey of 4-methoxypyridine-3-carbonitrile?
The InChIKey is RTVZZFXJASCNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-10-7-2-3-9-5-6(7)4-8/h2-3,5H,1H3.
What are the key properties of 4-methoxypyridine-3-carbonitrile?
4-methoxypyridine-3-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 2755887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).