6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde

C16H10ClNO2 — CID 80632138

IUPAC6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(Cl)c3ccccc23)nc1
InChIInChI=1S/C16H10ClNO2/c17-14-6-7-15(13-4-2-1-3-12(13)14)20-16-8-5-11(10-19)9-18-16/h1-10H
InChIKeyLDOYXRQNUJQLIR-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.49
Rot. Bonds3

About 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde

6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde (PubChem CID 80632138) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
PubChem CID80632138
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(Cl)c3ccccc23)nc1
InChIInChI=1S/C16H10ClNO2/c17-14-6-7-15(13-4-2-1-3-12(13)14)20-16-8-5-11(10-19)9-18-16/h1-10H
InChIKeyLDOYXRQNUJQLIR-UHFFFAOYSA-N
XLogP4.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde?
The IUPAC name of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde (CID 80632138) is 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccc(Cl)c3ccccc23)nc1.
What is the InChIKey of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde?
The InChIKey is LDOYXRQNUJQLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-14-6-7-15(13-4-2-1-3-12(13)14)20-16-8-5-11(10-19)9-18-16/h1-10H.
What are the key properties of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde?
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde has a molecular weight of 283.71 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde is sourced from PubChem (CID 80632138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).