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

C8H2F5IN2O — CID 118850212

IUPAC3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)nc(I)c1C(F)F
InChIInChI=1S/C8H2F5IN2O/c9-6(10)5-3(2-15)1-4(16-7(5)14)17-8(11,12)13/h1,6H
InChIKeyYFJFHVHWBSWMQC-UHFFFAOYSA-N
MW364.01 g/mol
LogP3.39
Rot. Bonds2

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

3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 118850212) has the molecular formula C8H2F5IN2O and a molecular weight of 364.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID118850212
Molecular FormulaC8H2F5IN2O
Molecular Weight364.01 g/mol
Exact Mass363.91
IUPAC Name3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)nc(I)c1C(F)F
InChIInChI=1S/C8H2F5IN2O/c9-6(10)5-3(2-15)1-4(16-7(5)14)17-8(11,12)13/h1,6H
InChIKeyYFJFHVHWBSWMQC-UHFFFAOYSA-N
XLogP3.39
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
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
ethyl 4-cyano-5-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134661200
5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095321
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025074
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile (CID 118850212) is 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(OC(F)(F)F)nc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is YFJFHVHWBSWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5IN2O/c9-6(10)5-3(2-15)1-4(16-7(5)14)17-8(11,12)13/h1,6H.
What are the key properties of 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 364.01 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 118850212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).