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

C8H2F5IN2 — CID 130077456

IUPAC6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)F)nc1I
InChIInChI=1S/C8H2F5IN2/c9-6(10)5-1-4(8(11,12)13)3(2-15)7(14)16-5/h1,6H
InChIKeyQZNTWKUBPNEUKJ-UHFFFAOYSA-N
MW348.01 g/mol
LogP3.51
Rot. Bonds1

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

6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 130077456) has the molecular formula C8H2F5IN2 and a molecular weight of 348.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID130077456
Molecular FormulaC8H2F5IN2
Molecular Weight348.01 g/mol
Exact Mass347.92
IUPAC Name6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)F)nc1I
InChIInChI=1S/C8H2F5IN2/c9-6(10)5-1-4(8(11,12)13)3(2-15)7(14)16-5/h1,6H
InChIKeyQZNTWKUBPNEUKJ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015
2-iodo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171783031
[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 130087693
6-(difluoromethyl)-2-iodo-3-(trifluoromethyl)pyridine
CID 130096769
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077423
2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 57336351
6-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130087725
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130095815
methyl 2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100700

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 130077456) is 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C(F)F)nc1I.
What is the InChIKey of 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QZNTWKUBPNEUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5IN2/c9-6(10)5-1-4(8(11,12)13)3(2-15)7(14)16-5/h1,6H.
What are the key properties of 6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-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)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130077456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).