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

C8H4F4INO2 — CID 134666917

IUPAC3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c(OC(F)(F)F)cc1CF
InChIInChI=1S/C8H4F4INO2/c9-2-4-1-6(16-8(10,11)12)7(13)14-5(4)3-15/h1,3H,2H2
InChIKeyYOMSIRHBCZORSJ-UHFFFAOYSA-N
MW349.02 g/mol
LogP2.87
Rot. Bonds3

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

3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134666917) has the molecular formula C8H4F4INO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134666917
Molecular FormulaC8H4F4INO2
Molecular Weight349.02 g/mol
Exact Mass348.92
IUPAC Name3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c(OC(F)(F)F)cc1CF
InChIInChI=1S/C8H4F4INO2/c9-2-4-1-6(16-8(10,11)12)7(13)14-5(4)3-15/h1,3H,2H2
InChIKeyYOMSIRHBCZORSJ-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 52.87
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-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666764
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134665513
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
CID 134679264
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 133085848
5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130110887
5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134660811
ethyl 2-[5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681321

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134666917) is 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1nc(I)c(OC(F)(F)F)cc1CF.
What is the InChIKey of 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is YOMSIRHBCZORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO2/c9-2-4-1-6(16-8(10,11)12)7(13)14-5(4)3-15/h1,3H,2H2.
What are the key properties of 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 349.02 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134666917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).