2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde

C19H16N2O3 — CID 85472987

IUPAC2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2ccccc2)cn1
InChIInChI=1S/C19H16N2O3/c1-23-18-10-16(12-22)17(11-21-18)24-13-15-8-5-9-20-19(15)14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyJVPKONRALACHPL-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.54
Rot. Bonds6

About 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde (PubChem CID 85472987) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
PubChem CID85472987
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2ccccc2)cn1
InChIInChI=1S/C19H16N2O3/c1-23-18-10-16(12-22)17(11-21-18)24-13-15-8-5-9-20-19(15)14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyJVPKONRALACHPL-UHFFFAOYSA-N
XLogP3.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.54
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 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde (CID 85472987) is 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2-c2ccccc2)cn1.
What is the InChIKey of 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
The InChIKey is JVPKONRALACHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-23-18-10-16(12-22)17(11-21-18)24-13-15-8-5-9-20-19(15)14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde has a molecular weight of 320.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85472987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).