4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde

C12H10N2O2 — CID 11009299

IUPAC4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(-c2ccccn2)c1
InChIInChI=1S/C12H10N2O2/c1-16-10-6-9(8-15)14-12(7-10)11-4-2-3-5-13-11/h2-8H,1H3
InChIKeyJIOYIFCWGKLPBG-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.96
Rot. Bonds3

About 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde

4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde (PubChem CID 11009299) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde
PubChem CID11009299
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(-c2ccccn2)c1
InChIInChI=1S/C12H10N2O2/c1-16-10-6-9(8-15)14-12(7-10)11-4-2-3-5-13-11/h2-8H,1H3
InChIKeyJIOYIFCWGKLPBG-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.96
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 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde?
The IUPAC name of 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde (CID 11009299) is 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde?
The canonical SMILES for 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde is COc1cc(C=O)nc(-c2ccccn2)c1.
What is the InChIKey of 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde?
The InChIKey is JIOYIFCWGKLPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-10-6-9(8-15)14-12(7-10)11-4-2-3-5-13-11/h2-8H,1H3.
What are the key properties of 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde?
4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pyridin-2-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 11009299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).