5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde

C7H3F3INO3 — CID 130111506

IUPAC5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(I)c(O)c(OC(F)(F)F)n1
InChIInChI=1S/C7H3F3INO3/c8-7(9,10)15-6-5(14)4(11)1-3(2-13)12-6/h1-2,14H
InChIKeyMQXROXKVTQDGCL-UHFFFAOYSA-N
MW333.00 g/mol
LogP2.10
Rot. Bonds2

About 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde

5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 130111506) has the molecular formula C7H3F3INO3 and a molecular weight of 333.00 g/mol. Its IUPAC name is 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID130111506
Molecular FormulaC7H3F3INO3
Molecular Weight333.00 g/mol
Exact Mass332.91
IUPAC Name5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(I)c(O)c(OC(F)(F)F)n1
InChIInChI=1S/C7H3F3INO3/c8-7(9,10)15-6-5(14)4(11)1-3(2-13)12-6/h1-2,14H
InChIKeyMQXROXKVTQDGCL-UHFFFAOYSA-N
XLogP2.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.00
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111265
6-bromo-5-hydroxy-4-iodopyridine-2-carbaldehyde
CID 71299111
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
6-bromo-5-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130909745
5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134680129
5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130092580
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134669413
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 130111506) is 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1cc(I)c(O)c(OC(F)(F)F)n1.
What is the InChIKey of 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is MQXROXKVTQDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO3/c8-7(9,10)15-6-5(14)4(11)1-3(2-13)12-6/h1-2,14H.
What are the key properties of 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 333.00 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 130111506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).