5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde

C9H6F5NO3 — CID 134663916

IUPAC5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)c(C=O)cc1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-17-8-5(6(10)11)2-4(3-16)7(15-8)18-9(12,13)14/h2-3,6H,1H3
InChIKeySRDUMFUVFCFKJM-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds4

About 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134663916) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134663916
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)c(C=O)cc1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-17-8-5(6(10)11)2-4(3-16)7(15-8)18-9(12,13)14/h2-3,6H,1H3
InChIKeySRDUMFUVFCFKJM-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134663916) is 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1nc(OC(F)(F)F)c(C=O)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is SRDUMFUVFCFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-17-8-5(6(10)11)2-4(3-16)7(15-8)18-9(12,13)14/h2-3,6H,1H3.
What are the key properties of 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 271.14 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134663916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).