3-methoxy-5-phenylpyridine-2-carbaldehyde

C13H11NO2 — CID 131304226

IUPAC3-methoxy-5-phenylpyridine-2-carbaldehyde
SMILESCOc1cc(-c2ccccc2)cnc1C=O
InChIInChI=1S/C13H11NO2/c1-16-13-7-11(8-14-12(13)9-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyDPZCOCLSCRNEBK-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.57
Rot. Bonds3

About 3-methoxy-5-phenylpyridine-2-carbaldehyde

3-methoxy-5-phenylpyridine-2-carbaldehyde (PubChem CID 131304226) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methoxy-5-phenylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-phenylpyridine-2-carbaldehyde
PubChem CID131304226
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-methoxy-5-phenylpyridine-2-carbaldehyde
SMILESCOc1cc(-c2ccccc2)cnc1C=O
InChIInChI=1S/C13H11NO2/c1-16-13-7-11(8-14-12(13)9-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyDPZCOCLSCRNEBK-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-5-phenylpyridine-2-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

3-methoxy-2-methyl-5-phenylpyridine
CID 133095590
CID 156813524
CID 156813524
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
CID 170696962
4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
CID 157022323
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
CID 56596003
2-methoxy-3-methyl-5-phenylpyridine
CID 46315013
5-phenylpyrimidine-2-carbaldehyde
CID 83915148
2-fluoro-5-phenylpyridine-3-carbaldehyde
CID 74892044
5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 142817182
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
CID 115036600

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-phenylpyridine-2-carbaldehyde?
The IUPAC name of 3-methoxy-5-phenylpyridine-2-carbaldehyde (CID 131304226) is 3-methoxy-5-phenylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-phenylpyridine-2-carbaldehyde?
The canonical SMILES for 3-methoxy-5-phenylpyridine-2-carbaldehyde is COc1cc(-c2ccccc2)cnc1C=O.
What is the InChIKey of 3-methoxy-5-phenylpyridine-2-carbaldehyde?
The InChIKey is DPZCOCLSCRNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-16-13-7-11(8-14-12(13)9-15)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-methoxy-5-phenylpyridine-2-carbaldehyde?
3-methoxy-5-phenylpyridine-2-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-phenylpyridine-2-carbaldehyde is sourced from PubChem (CID 131304226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).