5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile

C14H10N2O2 — CID 129031340

IUPAC5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile
SMILESCc1nc(Oc2ccccc2)c(C=O)cc1C#N
InChIInChI=1S/C14H10N2O2/c1-10-11(8-15)7-12(9-17)14(16-10)18-13-5-3-2-4-6-13/h2-7,9H,1H3
InChIKeyCTBCKLSOKBKTQG-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.87
Rot. Bonds3

About 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile

5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile (PubChem CID 129031340) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile
PubChem CID129031340
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile
SMILESCc1nc(Oc2ccccc2)c(C=O)cc1C#N
InChIInChI=1S/C14H10N2O2/c1-10-11(8-15)7-12(9-17)14(16-10)18-13-5-3-2-4-6-13/h2-7,9H,1H3
InChIKeyCTBCKLSOKBKTQG-UHFFFAOYSA-N
XLogP2.87
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile?
The IUPAC name of 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile (CID 129031340) is 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile?
The canonical SMILES for 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile is Cc1nc(Oc2ccccc2)c(C=O)cc1C#N.
What is the InChIKey of 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile?
The InChIKey is CTBCKLSOKBKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-10-11(8-15)7-12(9-17)14(16-10)18-13-5-3-2-4-6-13/h2-7,9H,1H3.
What are the key properties of 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile?
5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile is sourced from PubChem (CID 129031340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).