4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H3F5INO2 — CID 118851687

IUPAC4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H3F5INO2/c9-6(10)3-1-5(17-8(11,12)13)15-7(14)4(3)2-16/h1-2,6H
InChIKeyJPGJYRVKWZMEGO-UHFFFAOYSA-N
MW367.01 g/mol
LogP3.33
Rot. Bonds3

About 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde

4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 118851687) has the molecular formula C8H3F5INO2 and a molecular weight of 367.01 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID118851687
Molecular FormulaC8H3F5INO2
Molecular Weight367.01 g/mol
Exact Mass366.91
IUPAC Name4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H3F5INO2/c9-6(10)3-1-5(17-8(11,12)13)15-7(14)4(3)2-16/h1-2,6H
InChIKeyJPGJYRVKWZMEGO-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.01
LogP ≤ 53.33
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

4-(difluoromethyl)-3-fluoro-2-iodo-6-(trifluoromethoxy)pyridine
CID 118851432
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
CID 118823942
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
2-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134665826
4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118848960
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
4-(difluoromethyl)-3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665522
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 118851687) is 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1c(C(F)F)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is JPGJYRVKWZMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO2/c9-6(10)3-1-5(17-8(11,12)13)15-7(14)4(3)2-16/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 367.01 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 118851687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).