2-(difluoromethoxy)pyridine-4-carbaldehyde

C7H5F2NO2 — CID 71302320

IUPAC2-(difluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(OC(F)F)c1
InChIInChI=1S/C7H5F2NO2/c8-7(9)12-6-3-5(4-11)1-2-10-6/h1-4,7H
InChIKeyKWRMQSHHGQEUIF-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.50
Rot. Bonds3

About 2-(difluoromethoxy)pyridine-4-carbaldehyde

2-(difluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 71302320) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)pyridine-4-carbaldehyde
PubChem CID71302320
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2-(difluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(OC(F)F)c1
InChIInChI=1S/C7H5F2NO2/c8-7(9)12-6-3-5(4-11)1-2-10-6/h1-4,7H
InChIKeyKWRMQSHHGQEUIF-UHFFFAOYSA-N
XLogP1.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.50
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-(difluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethoxy)pyridine-4-carbaldehyde (CID 71302320) is 2-(difluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethoxy)pyridine-4-carbaldehyde is O=Cc1ccnc(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is KWRMQSHHGQEUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)12-6-3-5(4-11)1-2-10-6/h1-4,7H.
What are the key properties of 2-(difluoromethoxy)pyridine-4-carbaldehyde?
2-(difluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 173.12 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 71302320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).