2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde

C15H10N2O2 — CID 59599732

IUPAC2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3cncnc3)ccc12
InChIInChI=1S/C15H10N2O2/c18-8-14-13-3-1-10(12-6-16-9-17-7-12)5-11(13)2-4-15(14)19/h1-9,19H
InChIKeyJWLRUVAQLRDEOV-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.81
Rot. Bonds2

About 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde

2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde (PubChem CID 59599732) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde
PubChem CID59599732
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3cncnc3)ccc12
InChIInChI=1S/C15H10N2O2/c18-8-14-13-3-1-10(12-6-16-9-17-7-12)5-11(13)2-4-15(14)19/h1-9,19H
InChIKeyJWLRUVAQLRDEOV-UHFFFAOYSA-N
XLogP2.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde (CID 59599732) is 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(-c3cncnc3)ccc12.
What is the InChIKey of 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
The InChIKey is JWLRUVAQLRDEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-8-14-13-3-1-10(12-6-16-9-17-7-12)5-11(13)2-4-15(14)19/h1-9,19H.
What are the key properties of 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde?
2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde has a molecular weight of 250.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-pyrimidin-5-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 59599732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).