7,8-difluoroquinoline-2-carbaldehyde

C10H5F2NO — CID 71464270

IUPAC7,8-difluoroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2ccc(F)c(F)c2n1
InChIInChI=1S/C10H5F2NO/c11-8-4-2-6-1-3-7(5-14)13-10(6)9(8)12/h1-5H
InChIKeyWVSIGANJBYYEBZ-UHFFFAOYSA-N
MW193.15 g/mol
LogP2.33
Rot. Bonds1

About 7,8-difluoroquinoline-2-carbaldehyde

7,8-difluoroquinoline-2-carbaldehyde (PubChem CID 71464270) has the molecular formula C10H5F2NO and a molecular weight of 193.15 g/mol. Its IUPAC name is 7,8-difluoroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name7,8-difluoroquinoline-2-carbaldehyde
PubChem CID71464270
Molecular FormulaC10H5F2NO
Molecular Weight193.15 g/mol
Exact Mass193.03
IUPAC Name7,8-difluoroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2ccc(F)c(F)c2n1
InChIInChI=1S/C10H5F2NO/c11-8-4-2-6-1-3-7(5-14)13-10(6)9(8)12/h1-5H
InChIKeyWVSIGANJBYYEBZ-UHFFFAOYSA-N
XLogP2.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,8-difluoroquinoline-2-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 7,8-difluoroquinoline-2-carbaldehyde?
The IUPAC name of 7,8-difluoroquinoline-2-carbaldehyde (CID 71464270) is 7,8-difluoroquinoline-2-carbaldehyde.
What is the SMILES notation for 7,8-difluoroquinoline-2-carbaldehyde?
The canonical SMILES for 7,8-difluoroquinoline-2-carbaldehyde is O=Cc1ccc2ccc(F)c(F)c2n1.
What is the InChIKey of 7,8-difluoroquinoline-2-carbaldehyde?
The InChIKey is WVSIGANJBYYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO/c11-8-4-2-6-1-3-7(5-14)13-10(6)9(8)12/h1-5H.
What are the key properties of 7,8-difluoroquinoline-2-carbaldehyde?
7,8-difluoroquinoline-2-carbaldehyde has a molecular weight of 193.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoroquinoline-2-carbaldehyde is sourced from PubChem (CID 71464270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).