6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile

C14H10N2O3 — CID 59730360

IUPAC6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1cc(Oc2ccc(C#N)cn2)ccc1C=O
InChIInChI=1S/C14H10N2O3/c1-18-13-6-12(4-3-11(13)9-17)19-14-5-2-10(7-15)8-16-14/h2-6,8-9H,1H3
InChIKeyOUGVAKZVSGCFFY-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.57
Rot. Bonds4

About 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile

6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile (PubChem CID 59730360) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile
PubChem CID59730360
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1cc(Oc2ccc(C#N)cn2)ccc1C=O
InChIInChI=1S/C14H10N2O3/c1-18-13-6-12(4-3-11(13)9-17)19-14-5-2-10(7-15)8-16-14/h2-6,8-9H,1H3
InChIKeyOUGVAKZVSGCFFY-UHFFFAOYSA-N
XLogP2.57
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile (CID 59730360) is 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile is COc1cc(Oc2ccc(C#N)cn2)ccc1C=O.
What is the InChIKey of 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile?
The InChIKey is OUGVAKZVSGCFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-13-6-12(4-3-11(13)9-17)19-14-5-2-10(7-15)8-16-14/h2-6,8-9H,1H3.
What are the key properties of 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile?
6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 59730360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).