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

C8H2F6INO2 — CID 134669413

IUPAC2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(OC(F)(F)F)nc1I
InChIInChI=1S/C8H2F6INO2/c9-7(10,11)4-1-3(2-17)5(15)16-6(4)18-8(12,13)14/h1-2H
InChIKeyPSZWAGKOIHTYNL-UHFFFAOYSA-N
MW385.00 g/mol
LogP3.42
Rot. Bonds2

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

2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 134669413) has the molecular formula C8H2F6INO2 and a molecular weight of 385.00 g/mol. Its IUPAC name is 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID134669413
Molecular FormulaC8H2F6INO2
Molecular Weight385.00 g/mol
Exact Mass384.90
IUPAC Name2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(OC(F)(F)F)nc1I
InChIInChI=1S/C8H2F6INO2/c9-7(10,11)4-1-3(2-17)5(15)16-6(4)18-8(12,13)14/h1-2H
InChIKeyPSZWAGKOIHTYNL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134680129
methyl 2-[2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134669964
5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134660811
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130922748
5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130111506
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 134669413) is 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1cc(C(F)(F)F)c(OC(F)(F)F)nc1I.
What is the InChIKey of 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is PSZWAGKOIHTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6INO2/c9-7(10,11)4-1-3(2-17)5(15)16-6(4)18-8(12,13)14/h1-2H.
What are the key properties of 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
2-iodo-6-(trifluoromethoxy)-5-(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 2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134669413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).