5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde

C9H6F5NO2 — CID 133099508

IUPAC5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOc1ncc(C(F)F)c(C=O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-17-8-6(9(12,13)14)5(3-16)4(2-15-8)7(10)11/h2-3,7H,1H3
InChIKeyPRNFWTURWDOLLZ-UHFFFAOYSA-N
MW255.14 g/mol
LogP2.86
Rot. Bonds3

About 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde

5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 133099508) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID133099508
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOc1ncc(C(F)F)c(C=O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-17-8-6(9(12,13)14)5(3-16)4(2-15-8)7(10)11/h2-3,7H,1H3
InChIKeyPRNFWTURWDOLLZ-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 52.86
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 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde (CID 133099508) is 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde is COc1ncc(C(F)F)c(C=O)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is PRNFWTURWDOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-17-8-6(9(12,13)14)5(3-16)4(2-15-8)7(10)11/h2-3,7H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 255.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133099508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).