5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde

C8H2F6INO2 — CID 134680129

IUPAC5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(I)c(C(F)(F)F)nc1OC(F)(F)F
InChIInChI=1S/C8H2F6INO2/c9-7(10,11)5-4(15)1-3(2-17)6(16-5)18-8(12,13)14/h1-2H
InChIKeyYPAZDDSPKUUNRJ-UHFFFAOYSA-N
MW385.00 g/mol
LogP3.42
Rot. Bonds2

About 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde

5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 134680129) has the molecular formula C8H2F6INO2 and a molecular weight of 385.00 g/mol. Its IUPAC name is 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID134680129
Molecular FormulaC8H2F6INO2
Molecular Weight385.00 g/mol
Exact Mass384.90
IUPAC Name5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(I)c(C(F)(F)F)nc1OC(F)(F)F
InChIInChI=1S/C8H2F6INO2/c9-7(10,11)5-4(15)1-3(2-17)6(16-5)18-8(12,13)14/h1-2H
InChIKeyYPAZDDSPKUUNRJ-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.00
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134669413
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112405
5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130111506
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665042
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 134680129) is 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1cc(I)c(C(F)(F)F)nc1OC(F)(F)F.
What is the InChIKey of 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is YPAZDDSPKUUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6INO2/c9-7(10,11)5-4(15)1-3(2-17)6(16-5)18-8(12,13)14/h1-2H.
What are the key properties of 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 385.00 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134680129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).