3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H3F5INO2 — CID 134664946

IUPAC3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(I)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-7(10)6-3(2-16)15-5(14)1-4(6)17-8(11,12)13/h1-2,7H
InChIKeyLNFJBIAXQIQVDZ-UHFFFAOYSA-N
MW367.01 g/mol
LogP3.33
Rot. Bonds3

About 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde

3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134664946) has the molecular formula C8H3F5INO2 and a molecular weight of 367.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134664946
Molecular FormulaC8H3F5INO2
Molecular Weight367.01 g/mol
Exact Mass366.91
IUPAC Name3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(I)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-7(10)6-3(2-16)15-5(14)1-4(6)17-8(11,12)13/h1-2,7H
InChIKeyLNFJBIAXQIQVDZ-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

4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118811818
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664232
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666764

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134664946) is 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1nc(I)cc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is LNFJBIAXQIQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO2/c9-7(10)6-3(2-16)15-5(14)1-4(6)17-8(11,12)13/h1-2,7H.
What are the key properties of 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-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 3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134664946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).