6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile

C8H2F5IN2 — CID 130077423

IUPAC6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(C(F)(F)F)cc1I
InChIInChI=1S/C8H2F5IN2/c9-7(10)6-3(8(11,12)13)1-4(14)5(2-15)16-6/h1,7H
InChIKeyTZHOUVCOUAGAEI-UHFFFAOYSA-N
MW348.01 g/mol
LogP3.51
Rot. Bonds1

About 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile

6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130077423) has the molecular formula C8H2F5IN2 and a molecular weight of 348.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130077423
Molecular FormulaC8H2F5IN2
Molecular Weight348.01 g/mol
Exact Mass347.92
IUPAC Name6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(C(F)(F)F)cc1I
InChIInChI=1S/C8H2F5IN2/c9-7(10)6-3(8(11,12)13)1-4(14)5(2-15)16-6/h1,7H
InChIKeyTZHOUVCOUAGAEI-UHFFFAOYSA-N
XLogP3.51
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.01
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020
3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106766
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
6-(difluoromethyl)-3,5-difluoropyridine-2-carbonitrile
CID 119013699
2-(chloromethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118815578
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130077456
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
methyl 2-[6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100114

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 130077423) is 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)F)c(C(F)(F)F)cc1I.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is TZHOUVCOUAGAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5IN2/c9-7(10)6-3(8(11,12)13)1-4(14)5(2-15)16-6/h1,7H.
What are the key properties of 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile?
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 348.01 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130077423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).