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

C8H4F4INO2 — CID 118809518

IUPAC6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(CF)c(OC(F)(F)F)c1I
InChIInChI=1S/C8H4F4INO2/c9-1-5-7(16-8(10,11)12)6(13)4(3-15)2-14-5/h2-3H,1H2
InChIKeyRVEPNTSMYZGDPO-UHFFFAOYSA-N
MW349.02 g/mol
LogP2.87
Rot. Bonds3

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

6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 118809518) has the molecular formula C8H4F4INO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID118809518
Molecular FormulaC8H4F4INO2
Molecular Weight349.02 g/mol
Exact Mass348.92
IUPAC Name6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(CF)c(OC(F)(F)F)c1I
InChIInChI=1S/C8H4F4INO2/c9-1-5-7(16-8(10,11)12)6(13)4(3-15)2-14-5/h2-3H,1H2
InChIKeyRVEPNTSMYZGDPO-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 52.87
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

6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113178
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661449
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
CID 118848741
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000
5-fluoro-2-(fluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134680128
methyl 2-[6-(fluoromethyl)-4-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677069
methyl 2-[6-(aminomethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679834
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 118809518) is 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cnc(CF)c(OC(F)(F)F)c1I.
What is the InChIKey of 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is RVEPNTSMYZGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO2/c9-1-5-7(16-8(10,11)12)6(13)4(3-15)2-14-5/h2-3H,1H2.
What are the key properties of 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 349.02 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 118809518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).