1,8-naphthyridine-2-carbaldehyde

C9H6N2O — CID 2050090

IUPAC1,8-naphthyridine-2-carbaldehyde
SMILESO=Cc1ccc2cccnc2n1
InChIInChI=1S/C9H6N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h1-6H
InChIKeyTXEQVJDZTRPUKO-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.44
Rot. Bonds1

About 1,8-naphthyridine-2-carbaldehyde

1,8-naphthyridine-2-carbaldehyde (PubChem CID 2050090) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 1,8-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name1,8-naphthyridine-2-carbaldehyde
PubChem CID2050090
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name1,8-naphthyridine-2-carbaldehyde
SMILESO=Cc1ccc2cccnc2n1
InChIInChI=1S/C9H6N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h1-6H
InChIKeyTXEQVJDZTRPUKO-UHFFFAOYSA-N
XLogP1.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.44
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 1,8-naphthyridine-2-carbaldehyde?
The IUPAC name of 1,8-naphthyridine-2-carbaldehyde (CID 2050090) is 1,8-naphthyridine-2-carbaldehyde.
What is the SMILES notation for 1,8-naphthyridine-2-carbaldehyde?
The canonical SMILES for 1,8-naphthyridine-2-carbaldehyde is O=Cc1ccc2cccnc2n1.
What is the InChIKey of 1,8-naphthyridine-2-carbaldehyde?
The InChIKey is TXEQVJDZTRPUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h1-6H.
What are the key properties of 1,8-naphthyridine-2-carbaldehyde?
1,8-naphthyridine-2-carbaldehyde has a molecular weight of 158.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 2050090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).