4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde

C13H12N2O2 — CID 167102927

IUPAC4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
SMILESCOc1cccnc1-c1cc(C)ncc1C=O
InChIInChI=1S/C13H12N2O2/c1-9-6-11(10(8-16)7-15-9)13-12(17-2)4-3-5-14-13/h3-8H,1-2H3
InChIKeyCXJMWBBCRRSLAC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.27
Rot. Bonds3

About 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde

4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde (PubChem CID 167102927) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
PubChem CID167102927
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
SMILESCOc1cccnc1-c1cc(C)ncc1C=O
InChIInChI=1S/C13H12N2O2/c1-9-6-11(10(8-16)7-15-9)13-12(17-2)4-3-5-14-13/h3-8H,1-2H3
InChIKeyCXJMWBBCRRSLAC-UHFFFAOYSA-N
XLogP2.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Pyridin-2-ylmethoxy)benzaldehyde
CID 759667
1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone
CID 238350
4-(4-Fluorophenyl)-5-((6-methylpyridin-3-yl)methoxy)picolinamide
CID 122539689
5-(Benzyloxy)pyridine-2-carbaldehyde
CID 12397254
Methyl 5-methoxy-6-methylpyridine-3-carboxylate
CID 119135682
4-(4-Methoxyphenyl)pyridine-3-carbaldehyde
CID 11031182
Methyl 5-(3-(6-methylpyridin-2-yl)prop-2-ynyloxy)nicotinate
CID 44416254
2-(Furan-2-yl)-4-(furan-3-yl)-6-pyridin-4-ylpyridine
CID 44423831
(4-Methoxyphenyl)[6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 1482197
Methyl 5-(furan-2-yl)pyridine-2-carboxylate
CID 137641240
4-(Pyridin-3-yloxy)benzaldehyde
CID 4677419
8-Methoxyquinoline-4-carbaldehyde
CID 19776664

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde (CID 167102927) is 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde is COc1cccnc1-c1cc(C)ncc1C=O.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde?
The InChIKey is CXJMWBBCRRSLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-6-11(10(8-16)7-15-9)13-12(17-2)4-3-5-14-13/h3-8H,1-2H3.
What are the key properties of 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde?
4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 167102927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).