8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde

C10H4ClF3N2O — CID 155308569

IUPAC8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde
SMILESO=Cc1cc2ccnc(Cl)c2nc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N2O/c11-9-7-5(1-2-15-9)3-6(4-17)8(16-7)10(12,13)14/h1-4H
InChIKeyNFQBSLKKRYADHG-UHFFFAOYSA-N
MW260.60 g/mol
LogP3.11
Rot. Bonds1

About 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde

8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde (PubChem CID 155308569) has the molecular formula C10H4ClF3N2O and a molecular weight of 260.60 g/mol. Its IUPAC name is 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde
PubChem CID155308569
Molecular FormulaC10H4ClF3N2O
Molecular Weight260.60 g/mol
Exact Mass260.00
IUPAC Name8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde
SMILESO=Cc1cc2ccnc(Cl)c2nc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N2O/c11-9-7-5(1-2-15-9)3-6(4-17)8(16-7)10(12,13)14/h1-4H
InChIKeyNFQBSLKKRYADHG-UHFFFAOYSA-N
XLogP3.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.60
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde?
The IUPAC name of 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde (CID 155308569) is 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde?
The canonical SMILES for 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde is O=Cc1cc2ccnc(Cl)c2nc1C(F)(F)F.
What is the InChIKey of 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde?
The InChIKey is NFQBSLKKRYADHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O/c11-9-7-5(1-2-15-9)3-6(4-17)8(16-7)10(12,13)14/h1-4H.
What are the key properties of 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde?
8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde has a molecular weight of 260.60 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(trifluoromethyl)-1,7-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 155308569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).