2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde

C10H7BrN2O — CID 21043926

IUPAC2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde
SMILESO=CCc1cnc2cc(Br)cnc2c1
InChIInChI=1S/C10H7BrN2O/c11-8-4-10-9(13-6-8)3-7(1-2-14)5-12-10/h2-6H,1H2
InChIKeyCQJSTYLJEZJSNM-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.13
Rot. Bonds2

About 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde

2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde (PubChem CID 21043926) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde
PubChem CID21043926
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde
SMILESO=CCc1cnc2cc(Br)cnc2c1
InChIInChI=1S/C10H7BrN2O/c11-8-4-10-9(13-6-8)3-7(1-2-14)5-12-10/h2-6H,1H2
InChIKeyCQJSTYLJEZJSNM-UHFFFAOYSA-N
XLogP2.13
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.13
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 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde?
The IUPAC name of 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde (CID 21043926) is 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde?
The canonical SMILES for 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde is O=CCc1cnc2cc(Br)cnc2c1.
What is the InChIKey of 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde?
The InChIKey is CQJSTYLJEZJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-4-10-9(13-6-8)3-7(1-2-14)5-12-10/h2-6H,1H2.
What are the key properties of 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde?
2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde has a molecular weight of 251.08 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde is sourced from PubChem (CID 21043926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).