4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H5F3INO3 — CID 134660144

IUPAC4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESCOc1cnc(C=O)c(OC(F)(F)F)c1I
InChIInChI=1S/C8H5F3INO3/c1-15-5-2-13-4(3-14)7(6(5)12)16-8(9,10)11/h2-3H,1H3
InChIKeyTUALPILPFDAWNR-UHFFFAOYSA-N
MW347.03 g/mol
LogP2.41
Rot. Bonds3

About 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde

4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134660144) has the molecular formula C8H5F3INO3 and a molecular weight of 347.03 g/mol. Its IUPAC name is 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134660144
Molecular FormulaC8H5F3INO3
Molecular Weight347.03 g/mol
Exact Mass346.93
IUPAC Name4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESCOc1cnc(C=O)c(OC(F)(F)F)c1I
InChIInChI=1S/C8H5F3INO3/c1-15-5-2-13-4(3-14)7(6(5)12)16-8(9,10)11/h2-3H,1H3
InChIKeyTUALPILPFDAWNR-UHFFFAOYSA-N
XLogP2.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 131364675
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134660144) is 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde is COc1cnc(C=O)c(OC(F)(F)F)c1I.
What is the InChIKey of 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is TUALPILPFDAWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO3/c1-15-5-2-13-4(3-14)7(6(5)12)16-8(9,10)11/h2-3H,1H3.
What are the key properties of 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 347.03 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134660144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).