3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde

C20H17NO3 — CID 23245667

IUPAC3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C20H17NO3/c22-13-18-20(24-15-17-9-5-2-6-10-17)19(11-12-21-18)23-14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyOKWJTZWQYNTMJN-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.05
Rot. Bonds7

About 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde

3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde (PubChem CID 23245667) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
PubChem CID23245667
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C20H17NO3/c22-13-18-20(24-15-17-9-5-2-6-10-17)19(11-12-21-18)23-14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyOKWJTZWQYNTMJN-UHFFFAOYSA-N
XLogP4.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 171137827
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
4-phenylmethoxyquinoline
CID 11299312
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 23245673
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride
CID 122199601
hydron;isoquinoline-1-carbaldehyde
CID 174514236
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879
1,2-bis(phenylmethoxy)naphthalene
CID 67710722

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde (CID 23245667) is 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde is O=Cc1nccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde?
The InChIKey is OKWJTZWQYNTMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-13-18-20(24-15-17-9-5-2-6-10-17)19(11-12-21-18)23-14-16-7-3-1-4-8-16/h1-13H,14-15H2.
What are the key properties of 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde?
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde has a molecular weight of 319.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 23245667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).