7,8-difluoro-2-methoxyquinoline-4-carbaldehyde

C11H7F2NO2 — CID 46835261

IUPAC7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
SMILESCOc1cc(C=O)c2ccc(F)c(F)c2n1
InChIInChI=1S/C11H7F2NO2/c1-16-9-4-6(5-15)7-2-3-8(12)10(13)11(7)14-9/h2-5H,1H3
InChIKeyAVYNCMGIUSPNEN-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.33
Rot. Bonds2

About 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde

7,8-difluoro-2-methoxyquinoline-4-carbaldehyde (PubChem CID 46835261) has the molecular formula C11H7F2NO2 and a molecular weight of 223.18 g/mol. Its IUPAC name is 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde.

Molecular Properties

Compound Name7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
PubChem CID46835261
Molecular FormulaC11H7F2NO2
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC Name7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
SMILESCOc1cc(C=O)c2ccc(F)c(F)c2n1
InChIInChI=1S/C11H7F2NO2/c1-16-9-4-6(5-15)7-2-3-8(12)10(13)11(7)14-9/h2-5H,1H3
InChIKeyAVYNCMGIUSPNEN-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.33
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 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde?
The IUPAC name of 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde (CID 46835261) is 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde.
What is the SMILES notation for 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde?
The canonical SMILES for 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde is COc1cc(C=O)c2ccc(F)c(F)c2n1.
What is the InChIKey of 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde?
The InChIKey is AVYNCMGIUSPNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2/c1-16-9-4-6(5-15)7-2-3-8(12)10(13)11(7)14-9/h2-5H,1H3.
What are the key properties of 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde?
7,8-difluoro-2-methoxyquinoline-4-carbaldehyde has a molecular weight of 223.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methoxyquinoline-4-carbaldehyde is sourced from PubChem (CID 46835261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).