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

C8H5F3INO2 — CID 130113000

IUPAC5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCc1c(OC(F)(F)F)ncc(I)c1C=O
InChIInChI=1S/C8H5F3INO2/c1-4-5(3-14)6(12)2-13-7(4)15-8(9,10)11/h2-3H,1H3
InChIKeyQMCNVEUQQRXNAC-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.71
Rot. Bonds2

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

5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 130113000) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID130113000
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Name5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCc1c(OC(F)(F)F)ncc(I)c1C=O
InChIInChI=1S/C8H5F3INO2/c1-4-5(3-14)6(12)2-13-7(4)15-8(9,10)11/h2-3H,1H3
InChIKeyQMCNVEUQQRXNAC-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660201
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134676264
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 130113000) is 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde is Cc1c(OC(F)(F)F)ncc(I)c1C=O.
What is the InChIKey of 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is QMCNVEUQQRXNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c1-4-5(3-14)6(12)2-13-7(4)15-8(9,10)11/h2-3H,1H3.
What are the key properties of 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 331.03 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 130113000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).