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

C7H4F3IN2O2 — CID 118811818

IUPAC4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNc1cc(I)nc(C=O)c1OC(F)(F)F
InChIInChI=1S/C7H4F3IN2O2/c8-7(9,10)15-6-3(12)1-5(11)13-4(6)2-14/h1-2H,(H2,12,13)
InChIKeySXJJRIAUENQQMY-UHFFFAOYSA-N
MW332.02 g/mol
LogP1.98
Rot. Bonds2

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

4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 118811818) has the molecular formula C7H4F3IN2O2 and a molecular weight of 332.02 g/mol. Its IUPAC name is 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID118811818
Molecular FormulaC7H4F3IN2O2
Molecular Weight332.02 g/mol
Exact Mass331.93
IUPAC Name4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNc1cc(I)nc(C=O)c1OC(F)(F)F
InChIInChI=1S/C7H4F3IN2O2/c8-7(9,10)15-6-3(12)1-5(11)13-4(6)2-14/h1-2H,(H2,12,13)
InChIKeySXJJRIAUENQQMY-UHFFFAOYSA-N
XLogP1.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.02
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113003
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118817416
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
3-iodo-4-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679773
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 118811818) is 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde is Nc1cc(I)nc(C=O)c1OC(F)(F)F.
What is the InChIKey of 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is SXJJRIAUENQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O2/c8-7(9,10)15-6-3(12)1-5(11)13-4(6)2-14/h1-2H,(H2,12,13).
What are the key properties of 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 332.02 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 118811818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).