2,3-difluoroquinoline-6-carbaldehyde

C10H5F2NO — CID 152582580

IUPAC2,3-difluoroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2nc(F)c(F)cc2c1
InChIInChI=1S/C10H5F2NO/c11-8-4-7-3-6(5-14)1-2-9(7)13-10(8)12/h1-5H
InChIKeyYTUFZODCOHRWHL-UHFFFAOYSA-N
MW193.15 g/mol
LogP2.33
Rot. Bonds1

About 2,3-difluoroquinoline-6-carbaldehyde

2,3-difluoroquinoline-6-carbaldehyde (PubChem CID 152582580) has the molecular formula C10H5F2NO and a molecular weight of 193.15 g/mol. Its IUPAC name is 2,3-difluoroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name2,3-difluoroquinoline-6-carbaldehyde
PubChem CID152582580
Molecular FormulaC10H5F2NO
Molecular Weight193.15 g/mol
Exact Mass193.03
IUPAC Name2,3-difluoroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2nc(F)c(F)cc2c1
InChIInChI=1S/C10H5F2NO/c11-8-4-7-3-6(5-14)1-2-9(7)13-10(8)12/h1-5H
InChIKeyYTUFZODCOHRWHL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoroquinoline-6-carbaldehyde?
The IUPAC name of 2,3-difluoroquinoline-6-carbaldehyde (CID 152582580) is 2,3-difluoroquinoline-6-carbaldehyde.
What is the SMILES notation for 2,3-difluoroquinoline-6-carbaldehyde?
The canonical SMILES for 2,3-difluoroquinoline-6-carbaldehyde is O=Cc1ccc2nc(F)c(F)cc2c1.
What is the InChIKey of 2,3-difluoroquinoline-6-carbaldehyde?
The InChIKey is YTUFZODCOHRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO/c11-8-4-7-3-6(5-14)1-2-9(7)13-10(8)12/h1-5H.
What are the key properties of 2,3-difluoroquinoline-6-carbaldehyde?
2,3-difluoroquinoline-6-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 2,3-difluoroquinoline-6-carbaldehyde is sourced from PubChem (CID 152582580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).