benzo[f][1,7]naphthyridine-8-carbaldehyde

C13H8N2O — CID 141302313

IUPACbenzo[f][1,7]naphthyridine-8-carbaldehyde
SMILESO=Cc1ccc2c(c1)ncc1ncccc12
InChIInChI=1S/C13H8N2O/c16-8-9-3-4-11-10-2-1-5-14-13(10)7-15-12(11)6-9/h1-8H
InChIKeyCWNJRAKPPIAYRX-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.60
Rot. Bonds1

About benzo[f][1,7]naphthyridine-8-carbaldehyde

benzo[f][1,7]naphthyridine-8-carbaldehyde (PubChem CID 141302313) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is benzo[f][1,7]naphthyridine-8-carbaldehyde.

Molecular Properties

Compound Namebenzo[f][1,7]naphthyridine-8-carbaldehyde
PubChem CID141302313
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Namebenzo[f][1,7]naphthyridine-8-carbaldehyde
SMILESO=Cc1ccc2c(c1)ncc1ncccc12
InChIInChI=1S/C13H8N2O/c16-8-9-3-4-11-10-2-1-5-14-13(10)7-15-12(11)6-9/h1-8H
InChIKeyCWNJRAKPPIAYRX-UHFFFAOYSA-N
XLogP2.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[f][1,7]naphthyridine-8-carbaldehyde?
The IUPAC name of benzo[f][1,7]naphthyridine-8-carbaldehyde (CID 141302313) is benzo[f][1,7]naphthyridine-8-carbaldehyde.
What is the SMILES notation for benzo[f][1,7]naphthyridine-8-carbaldehyde?
The canonical SMILES for benzo[f][1,7]naphthyridine-8-carbaldehyde is O=Cc1ccc2c(c1)ncc1ncccc12.
What is the InChIKey of benzo[f][1,7]naphthyridine-8-carbaldehyde?
The InChIKey is CWNJRAKPPIAYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c16-8-9-3-4-11-10-2-1-5-14-13(10)7-15-12(11)6-9/h1-8H.
What are the key properties of benzo[f][1,7]naphthyridine-8-carbaldehyde?
benzo[f][1,7]naphthyridine-8-carbaldehyde has a molecular weight of 208.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f][1,7]naphthyridine-8-carbaldehyde is sourced from PubChem (CID 141302313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).