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

C8H5F3INO3 — CID 134660115

IUPAC2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OC(F)(F)F)c(I)n1
InChIInChI=1S/C8H5F3INO3/c1-15-5-2-4(3-14)6(7(12)13-5)16-8(9,10)11/h2-3H,1H3
InChIKeyXWYLDSYXTAAYEG-UHFFFAOYSA-N
MW347.03 g/mol
LogP2.41
Rot. Bonds3

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

2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 134660115) has the molecular formula C8H5F3INO3 and a molecular weight of 347.03 g/mol. Its IUPAC name is 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID134660115
Molecular FormulaC8H5F3INO3
Molecular Weight347.03 g/mol
Exact Mass346.93
IUPAC Name2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OC(F)(F)F)c(I)n1
InChIInChI=1S/C8H5F3INO3/c1-15-5-2-4(3-14)6(7(12)13-5)16-8(9,10)11/h2-3H,1H3
InChIKeyXWYLDSYXTAAYEG-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660091
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
CID 46835261
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
CID 130112544
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 134660115) is 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde is COc1cc(C=O)c(OC(F)(F)F)c(I)n1.
What is the InChIKey of 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is XWYLDSYXTAAYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO3/c1-15-5-2-4(3-14)6(7(12)13-5)16-8(9,10)11/h2-3H,1H3.
What are the key properties of 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-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 2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 134660115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).