3-hydroxy-1,5-naphthyridine-2-carbaldehyde

C9H6N2O2 — CID 137303823

IUPAC3-hydroxy-1,5-naphthyridine-2-carbaldehyde
SMILESO=Cc1nc2cccnc2cc1O
InChIInChI=1S/C9H6N2O2/c12-5-8-9(13)4-7-6(11-8)2-1-3-10-7/h1-5,13H
InChIKeyTZWGTEBNNBXWLE-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.15
Rot. Bonds1

About 3-hydroxy-1,5-naphthyridine-2-carbaldehyde

3-hydroxy-1,5-naphthyridine-2-carbaldehyde (PubChem CID 137303823) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-hydroxy-1,5-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-1,5-naphthyridine-2-carbaldehyde
PubChem CID137303823
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name3-hydroxy-1,5-naphthyridine-2-carbaldehyde
SMILESO=Cc1nc2cccnc2cc1O
InChIInChI=1S/C9H6N2O2/c12-5-8-9(13)4-7-6(11-8)2-1-3-10-7/h1-5,13H
InChIKeyTZWGTEBNNBXWLE-UHFFFAOYSA-N
XLogP1.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.15
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 3-hydroxy-1,5-naphthyridine-2-carbaldehyde?
The IUPAC name of 3-hydroxy-1,5-naphthyridine-2-carbaldehyde (CID 137303823) is 3-hydroxy-1,5-naphthyridine-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-1,5-naphthyridine-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-1,5-naphthyridine-2-carbaldehyde is O=Cc1nc2cccnc2cc1O.
What is the InChIKey of 3-hydroxy-1,5-naphthyridine-2-carbaldehyde?
The InChIKey is TZWGTEBNNBXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-5-8-9(13)4-7-6(11-8)2-1-3-10-7/h1-5,13H.
What are the key properties of 3-hydroxy-1,5-naphthyridine-2-carbaldehyde?
3-hydroxy-1,5-naphthyridine-2-carbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,5-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 137303823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).