5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile

C8H2F5IN2 — CID 130077417

IUPAC5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(C(F)(F)F)c1I
InChIInChI=1S/C8H2F5IN2/c9-7(10)3-2-16-4(1-15)6(14)5(3)8(11,12)13/h2,7H
InChIKeyLAODIRQTVQHBIO-UHFFFAOYSA-N
MW348.01 g/mol
LogP3.51
Rot. Bonds1

About 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile

5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130077417) has the molecular formula C8H2F5IN2 and a molecular weight of 348.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130077417
Molecular FormulaC8H2F5IN2
Molecular Weight348.01 g/mol
Exact Mass347.92
IUPAC Name5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(C(F)(F)F)c1I
InChIInChI=1S/C8H2F5IN2/c9-7(10)3-2-16-4(1-15)6(14)5(3)8(11,12)13/h2,7H
InChIKeyLAODIRQTVQHBIO-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

5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295
3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 118997017
4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 118810553
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 130077417) is 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(C(F)(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is LAODIRQTVQHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5IN2/c9-7(10)3-2-16-4(1-15)6(14)5(3)8(11,12)13/h2,7H.
What are the key properties of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile?
5-(difluoromethyl)-3-iodo-4-(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 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130077417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).