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

C8H5F3INO2 — CID 130112973

IUPAC6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1c(I)ncc(C=O)c1OC(F)(F)F
InChIInChI=1S/C8H5F3INO2/c1-4-6(15-8(9,10)11)5(3-14)2-13-7(4)12/h2-3H,1H3
InChIKeyNWROFFHSJXNHHV-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.71
Rot. Bonds2

About 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde

6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 130112973) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID130112973
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Name6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCc1c(I)ncc(C=O)c1OC(F)(F)F
InChIInChI=1S/C8H5F3INO2/c1-4-6(15-8(9,10)11)5(3-14)2-13-7(4)12/h2-3H,1H3
InChIKeyNWROFFHSJXNHHV-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661449
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113178
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118809518
2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130093349
2-iodo-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 130112973) is 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde is Cc1c(I)ncc(C=O)c1OC(F)(F)F.
What is the InChIKey of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is NWROFFHSJXNHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c1-4-6(15-8(9,10)11)5(3-14)2-13-7(4)12/h2-3H,1H3.
What are the key properties of 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-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 6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 130112973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).