2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde

C16H11NO2 — CID 25160989

IUPAC2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3cccnc3)ccc12
InChIInChI=1S/C16H11NO2/c18-10-15-14-5-3-11(13-2-1-7-17-9-13)8-12(14)4-6-16(15)19/h1-10,19H
InChIKeyPZRBMEHVHWSEKZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.42
Rot. Bonds2

About 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde

2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde (PubChem CID 25160989) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde
PubChem CID25160989
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3cccnc3)ccc12
InChIInChI=1S/C16H11NO2/c18-10-15-14-5-3-11(13-2-1-7-17-9-13)8-12(14)4-6-16(15)19/h1-10,19H
InChIKeyPZRBMEHVHWSEKZ-UHFFFAOYSA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
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 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde (CID 25160989) is 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(-c3cccnc3)ccc12.
What is the InChIKey of 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde?
The InChIKey is PZRBMEHVHWSEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-10-15-14-5-3-11(13-2-1-7-17-9-13)8-12(14)4-6-16(15)19/h1-10,19H.
What are the key properties of 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde?
2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-pyridin-3-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 25160989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).