4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde

C8H3F5INO — CID 118812592

IUPAC4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(C(F)(F)F)c(I)n1
InChIInChI=1S/C8H3F5INO/c9-6(10)4-1-3(2-16)15-7(14)5(4)8(11,12)13/h1-2,6H
InChIKeyWAOQYNRWJJEQSO-UHFFFAOYSA-N
MW351.01 g/mol
LogP3.46
Rot. Bonds2

About 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde

4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118812592) has the molecular formula C8H3F5INO and a molecular weight of 351.01 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID118812592
Molecular FormulaC8H3F5INO
Molecular Weight351.01 g/mol
Exact Mass350.92
IUPAC Name4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(C(F)(F)F)c(I)n1
InChIInChI=1S/C8H3F5INO/c9-6(10)4-1-3(2-16)15-7(14)5(4)8(11,12)13/h1-2,6H
InChIKeyWAOQYNRWJJEQSO-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 119019065
5-amino-6-bromo-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102081
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 118812592) is 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1cc(C(F)F)c(C(F)(F)F)c(I)n1.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is WAOQYNRWJJEQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO/c9-6(10)4-1-3(2-16)15-7(14)5(4)8(11,12)13/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde?
4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 351.01 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118812592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).