4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde

C13H12N2O3 — CID 10752787

IUPAC4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde
SMILESCOc1c(C=O)cnc(-c2ccccn2)c1OC
InChIInChI=1S/C13H12N2O3/c1-17-12-9(8-16)7-15-11(13(12)18-2)10-5-3-4-6-14-10/h3-8H,1-2H3
InChIKeyGOTIIYPRVJTQPQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.97
Rot. Bonds4

About 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde

4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde (PubChem CID 10752787) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde
PubChem CID10752787
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde
SMILESCOc1c(C=O)cnc(-c2ccccn2)c1OC
InChIInChI=1S/C13H12N2O3/c1-17-12-9(8-16)7-15-11(13(12)18-2)10-5-3-4-6-14-10/h3-8H,1-2H3
InChIKeyGOTIIYPRVJTQPQ-UHFFFAOYSA-N
XLogP1.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.97
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 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde (CID 10752787) is 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde is COc1c(C=O)cnc(-c2ccccn2)c1OC.
What is the InChIKey of 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde?
The InChIKey is GOTIIYPRVJTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-12-9(8-16)7-15-11(13(12)18-2)10-5-3-4-6-14-10/h3-8H,1-2H3.
What are the key properties of 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde?
4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde has a molecular weight of 244.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-6-pyridin-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 10752787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).