6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile

C15H11ClN2O2 — CID 11808293

IUPAC6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile
SMILESCCOc1nc(Cl)c(C=O)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H11ClN2O2/c1-2-20-15-11(8-17)13(10-6-4-3-5-7-10)12(9-19)14(16)18-15/h3-7,9H,2H2,1H3
InChIKeySIJOMOQLMQVKTA-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.48
Rot. Bonds4

About 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile

6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile (PubChem CID 11808293) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile
PubChem CID11808293
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile
SMILESCCOc1nc(Cl)c(C=O)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H11ClN2O2/c1-2-20-15-11(8-17)13(10-6-4-3-5-7-10)12(9-19)14(16)18-15/h3-7,9H,2H2,1H3
InChIKeySIJOMOQLMQVKTA-UHFFFAOYSA-N
XLogP3.48
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile (CID 11808293) is 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile is CCOc1nc(Cl)c(C=O)c(-c2ccccc2)c1C#N.
What is the InChIKey of 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is SIJOMOQLMQVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-2-20-15-11(8-17)13(10-6-4-3-5-7-10)12(9-19)14(16)18-15/h3-7,9H,2H2,1H3.
What are the key properties of 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile?
6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile has a molecular weight of 286.72 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethoxy-5-formyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11808293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).