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

C8H3F5INO2 — CID 134679457

IUPAC5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(OC(F)(F)F)nc1I
InChIInChI=1S/C8H3F5INO2/c9-5(10)4-1-3(2-16)6(14)15-7(4)17-8(11,12)13/h1-2,5H
InChIKeyHLTVOPFNPZTGJH-UHFFFAOYSA-N
MW367.01 g/mol
LogP3.33
Rot. Bonds3

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

5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134679457) has the molecular formula C8H3F5INO2 and a molecular weight of 367.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134679457
Molecular FormulaC8H3F5INO2
Molecular Weight367.01 g/mol
Exact Mass366.91
IUPAC Name5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(OC(F)(F)F)nc1I
InChIInChI=1S/C8H3F5INO2/c9-5(10)4-1-3(2-16)6(14)15-7(4)17-8(11,12)13/h1-2,5H
InChIKeyHLTVOPFNPZTGJH-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.01
LogP ≤ 53.33
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

2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134669413
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
CID 134680703
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134679457) is 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(OC(F)(F)F)nc1I.
What is the InChIKey of 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is HLTVOPFNPZTGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO2/c9-5(10)4-1-3(2-16)6(14)15-7(4)17-8(11,12)13/h1-2,5H.
What are the key properties of 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 367.01 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134679457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).