2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde

C14H13NO3 — CID 88913395

IUPAC2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde
SMILESCOc1nc(OC)c(-c2ccccc2)cc1C=O
InChIInChI=1S/C14H13NO3/c1-17-13-11(9-16)8-12(14(15-13)18-2)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIEUFFZJIFTWXHB-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.58
Rot. Bonds4

About 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde

2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde (PubChem CID 88913395) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde
PubChem CID88913395
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde
SMILESCOc1nc(OC)c(-c2ccccc2)cc1C=O
InChIInChI=1S/C14H13NO3/c1-17-13-11(9-16)8-12(14(15-13)18-2)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIEUFFZJIFTWXHB-UHFFFAOYSA-N
XLogP2.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.58
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 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde?
The IUPAC name of 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde (CID 88913395) is 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde is COc1nc(OC)c(-c2ccccc2)cc1C=O.
What is the InChIKey of 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde?
The InChIKey is IEUFFZJIFTWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-11(9-16)8-12(14(15-13)18-2)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde?
2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-5-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 88913395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).