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

C8H4BrF3INO2 — CID 130113178

IUPAC6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(CBr)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF3INO2/c9-1-5-6(13)7(16-8(10,11)12)4(3-15)2-14-5/h2-3H,1H2
InChIKeyKJKIZRXJFGSKFN-UHFFFAOYSA-N
MW409.93 g/mol
LogP3.29
Rot. Bonds3

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

6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 130113178) has the molecular formula C8H4BrF3INO2 and a molecular weight of 409.93 g/mol. Its IUPAC name is 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID130113178
Molecular FormulaC8H4BrF3INO2
Molecular Weight409.93 g/mol
Exact Mass408.84
IUPAC Name6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(CBr)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF3INO2/c9-1-5-6(13)7(16-8(10,11)12)4(3-15)2-14-5/h2-3H,1H2
InChIKeyKJKIZRXJFGSKFN-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.93
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118809518
5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661449
2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
2-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134676064
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
[2-(bromomethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118843706
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 130113178) is 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cnc(CBr)c(I)c1OC(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is KJKIZRXJFGSKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3INO2/c9-1-5-6(13)7(16-8(10,11)12)4(3-15)2-14-5/h2-3H,1H2.
What are the key properties of 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 409.93 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 130113178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).